data_1wil_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 1wil _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 ' 16' ' ' GLU . . . . . 0.428 ' C ' HG22 ' A' ' 38' ' ' VAL . 25.2 mp0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.938 0.399 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.7 mtt -113.86 119.82 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' MET . 25.1 t -34.49 140.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.17 -3.92 55.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -118.8 -15.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.7 m -126.43 -26.44 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 57.83 38.06 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.9 148.75 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.4 p-90 -118.89 -175.8 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.503 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.8 m -157.73 147.93 20.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -39.72 -60.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.93 176.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -67.76 138.82 56.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.434 HD23 ' CG2' ' A' ' 38' ' ' VAL . 23.7 tp -94.38 144.08 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.3 m-85 -91.22 153.92 44.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.77 -48.84 0.25 Allowed 'Cis proline' 0 C--O 1.233 0.226 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.288 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 m -119.19 176.14 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -94.85 -52.45 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 36' ' ' THR . 94.1 t -61.32 -52.09 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' THR . 33.0 m -46.19 94.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' CYS . 59.2 m -33.1 -57.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -63.24 103.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.434 ' CG2' HD23 ' A' ' 29' ' ' LEU . 33.9 m -108.32 134.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -151.04 125.27 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -61.46 128.94 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -49.11 -39.53 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.98 82.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.7 -27.47 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.7 mt -79.44 -59.46 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -55.26 -42.11 73.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.1 mmm -40.95 -55.21 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.86 46.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -105.93 -38.34 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.185 179.882 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.414 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 15.9 mtp -141.99 141.83 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -40.33 133.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -76.94 5.21 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -125.35 -20.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.89 -28.79 4.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' C ' ' HB3' ' A' ' 17' ' ' MET . 59.8 mt-10 64.56 44.6 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.99 129.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.402 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.4 p-90 -104.0 170.9 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.9 m -149.38 145.78 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -32.59 -53.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -144.15 176.3 9.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t 74.63 28.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 tp -101.49 89.93 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 8.7 m-85 -86.0 154.48 57.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 -52.01 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.367 -0.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.44 156.68 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -21.25 27.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.61 -20.39 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.1 m -91.74 32.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' CYS . 17.0 m 34.01 36.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' CYS . 16.6 tpp180 -175.26 136.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.6 m -137.61 139.96 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -150.37 111.52 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -39.3 114.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.02 -35.88 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.66 80.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.01 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.6 -58.63 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -53.15 -39.0 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -63.51 -55.23 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 26.5 mtp -68.46 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 48.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ILE . 18.3 m-85 -92.16 -50.59 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' TYR . 26.8 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.164 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.838 0.352 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.474 ' N ' HG21 ' A' ' 38' ' ' VAL . 3.2 mmt -143.69 124.32 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' GLU . 32.9 t -50.04 141.71 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.33 -6.7 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.02 -28.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 m -113.44 -27.08 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.1 mm-40 53.19 46.94 25.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.89 137.18 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.571 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.6 p-90 -110.1 171.19 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.427 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 19.1 p -143.94 143.25 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.28 -38.13 5.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -68.77 172.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -69.42 118.93 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.79 151.56 30.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.2 m-85 -102.24 153.07 38.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.72 -29.39 5.72 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.399 -0.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.84 146.22 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.35 -35.17 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 33' ' ' ARG . 12.4 p -32.18 -45.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' THR . 2.4 p -81.39 120.9 25.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 47.6 m -34.43 -58.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -72.3 142.25 48.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.474 HG21 ' N ' ' A' ' 17' ' ' MET . 34.3 m -128.99 141.25 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.427 ' CD1' HD12 ' A' ' 44' ' ' LEU . 2.1 p90 -150.89 117.78 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -59.76 106.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -38.88 -36.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.6 -46.53 89.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.6 m -54.19 -45.78 72.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 39' ' ' PHE . 27.7 mt -64.26 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.55 -36.18 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 46' ' ' ARG . 6.5 tmm_? -61.67 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 25.5 mtp -57.19 -49.72 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.58 37.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.446 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -89.51 -41.08 12.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.2 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 16.3 mmm -127.49 129.62 47.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.1 t -48.4 139.34 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -77.25 1.59 18.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.65 -23.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.8 m -120.17 -21.22 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 52.43 44.71 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.68 155.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.2 p-90 -123.12 172.98 8.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.4 p -145.82 148.83 33.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.478 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.77 -38.8 64.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.68 177.92 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -68.6 140.01 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD2' ' HB ' ' A' ' 38' ' ' VAL . 21.9 tp -108.05 158.68 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.9 m-85 -115.53 155.56 47.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.85 -51.47 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -127.1 170.7 12.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -23.4 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.34 -40.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 m -59.94 149.99 30.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 p -81.95 37.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -173.7 111.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' HB ' ' CD2' ' A' ' 29' ' ' LEU . 35.8 m -106.6 141.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -150.9 113.55 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -48.69 148.42 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -77.69 -36.01 51.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 -10.55 81.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.3 -49.32 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 49' ' ' TYR . 41.6 mt -54.68 -38.74 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 7.4 ptp180 -68.81 -37.18 79.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.5 tmt_? -78.03 -68.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.515 ' HE1' ' CE2' ' A' ' 49' ' ' TYR . 3.6 tmm? -35.62 -56.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.59 60.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.515 ' CE2' ' HE1' ' A' ' 47' ' ' MET . 9.1 m-85 -123.27 -70.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.88 0.372 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.5 mmt -116.21 116.8 28.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 41.6 t -47.3 142.52 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.98 -3.16 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -123.6 -30.63 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 m -111.2 -21.96 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' CYS . 45.6 mt-10 52.22 43.23 30.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -140.68 165.25 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 8.3 p-90 -130.02 173.11 11.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.444 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 9.5 p -142.01 148.04 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.7 -41.19 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -73.96 174.08 9.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 m -58.98 127.25 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.82 144.39 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 5.7 m-85 -90.54 153.09 45.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.544 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.75 -47.04 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.411 -0.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.87 -177.16 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.64 -24.12 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.2 t -69.83 -48.92 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' THR . 97.2 m -66.91 112.08 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' CYS . 36.6 p -37.63 -59.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -59.6 121.35 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.12 139.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.544 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -149.89 112.4 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -54.06 111.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.13 -31.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.3 -58.0 7.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.2 m -43.95 -40.11 4.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.98 -58.62 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.1 -26.28 62.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.68 -61.14 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.464 ' HE1' ' CE2' ' A' ' 49' ' ' TYR . 30.1 mtm -79.07 -55.06 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.63 53.01 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CE2' ' HE1' ' A' ' 47' ' ' MET . 14.0 m-85 -93.48 -44.48 8.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.929 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.427 HD12 ' C ' ' A' ' 50' ' ' ILE . 2.5 pp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' CG ' HG13 ' A' ' 38' ' ' VAL . 16.2 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.36 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.427 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 17.3 mtp -133.56 146.31 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.86 150.24 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.17 0.8 50.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -127.36 -27.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.1 m -110.97 -23.82 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' C ' ' HB3' ' A' ' 17' ' ' MET . 28.7 mt-10 56.15 41.54 29.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -136.67 147.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.5 p-90 -120.23 176.59 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.555 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 15.1 p -150.38 151.62 33.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -57.13 -37.29 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -74.12 177.49 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -66.3 125.36 25.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.799 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -92.56 140.1 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.3 m-85 -82.8 152.33 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.564 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.79 -50.43 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.271 0.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -140.92 -176.42 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 3.2 ptm180 -104.06 -33.87 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 97.2 t -45.45 -69.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.9 m -39.35 157.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.5 p -90.9 44.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -174.88 160.59 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG13 ' CG ' ' A' ' 16' ' ' GLU . 16.5 m -135.21 132.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 2.6 p90 -151.39 122.87 7.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -71.67 122.63 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -46.38 -46.62 18.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.9 -25.48 59.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.365 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 m -80.27 -33.75 37.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.9 -43.66 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -58.39 -30.85 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -66.26 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.9 mmm -61.36 -54.19 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.04 48.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -94.0 -37.92 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.099 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.863 0.363 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -132.39 118.99 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 22' ' ' GLU . 36.5 t -51.44 144.09 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 37' ' ' ARG . 72.0 m-20 -77.26 -4.64 45.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.13 -26.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m -115.59 -26.65 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.2 mm-40 51.4 48.6 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.49 135.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -99.68 167.72 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.496 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.7 p -139.56 148.28 42.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -47.88 -38.96 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.45 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -78.16 130.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' CD2' ' HB ' ' A' ' 38' ' ' VAL . 6.3 tp -83.54 161.21 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.521 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.0 m-85 -119.37 153.82 53.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 52.6 Cg_endo -69.8 -38.47 1.62 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.236 0.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.74 140.3 14.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.2 ppt_? -77.77 -30.98 51.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ARG . 33.3 m -35.62 -39.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.9 p -86.82 122.81 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 87.7 m -35.87 -62.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.496 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 33.2 ttt-85 -72.85 119.99 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 29' ' ' LEU . 33.7 m -110.34 145.16 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -150.63 111.28 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.407 ' NE2' HD12 ' A' ' 29' ' ' LEU . 46.1 m170 -50.56 138.32 17.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.03 -35.11 79.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.08 -34.45 64.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.14 -50.21 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.33 -57.61 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 23.3 ptt180 -52.75 -35.24 55.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 6.7 tmm_? -71.72 -70.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.1 mmm -47.83 -38.67 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.5 69.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -122.57 -46.74 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' HG21 ' A' ' 38' ' ' VAL . 19.3 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mmm -107.81 126.96 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.8 t -41.24 149.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.0 -0.73 56.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.8 t -125.54 -16.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 59.2 m -123.36 -29.38 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.36 42.42 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 m -146.96 142.35 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.4 p-90 -113.35 176.92 4.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.551 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.3 p -149.08 149.72 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.131 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -49.78 -40.34 41.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.49 175.58 4.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m -66.1 133.8 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -99.08 132.55 44.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.6 m-85 -83.52 151.99 63.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.74 -50.7 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.327 -0.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.24 -178.01 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -113.18 -26.47 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.09 -34.72 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 36' ' ' THR . 98.9 m -87.49 106.09 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.7 m -32.01 -45.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -67.46 101.22 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.427 HG21 ' C ' ' A' ' 16' ' ' GLU . 28.2 m -106.07 129.16 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -151.34 123.88 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -49.96 152.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.53 -37.93 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.93 -50.27 36.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.8 m -40.28 -42.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.3 -64.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 43.1 ptt85 -53.31 -35.84 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -54.08 -49.05 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.6 mtm -84.34 -54.99 4.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.45 58.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -110.98 -38.98 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.8 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' C ' HG22 ' A' ' 38' ' ' VAL . 9.2 tt0 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.89 0.376 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 mtp -108.4 133.51 52.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.7 t -50.54 143.13 9.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.94 0.1 36.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.72 -21.05 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -121.22 -27.46 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 62.02 46.87 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -148.05 141.45 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.7 p-90 -112.31 179.98 3.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.552 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 m -155.58 150.3 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.53 -60.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.47 169.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -66.46 125.55 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.9 133.23 35.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 7.8 m-85 -84.18 151.86 60.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.79 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.398 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -130.54 -179.69 5.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -116.5 -23.45 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.31 -59.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.1 m -41.57 145.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -78.19 45.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -174.46 113.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.417 HG22 ' C ' ' A' ' 16' ' ' GLU . 29.5 m -108.2 129.96 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 39' ' ' PHE . 1.1 p90 -151.18 127.57 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -53.29 159.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -83.68 -26.85 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.27 -24.37 54.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.442 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.25 -33.21 75.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.79 -51.85 13.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -61.07 -40.63 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 7.0 tmm_? -59.29 -59.07 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 46.9 mtp -63.14 -52.74 61.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.41 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -91.46 -43.07 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 pt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.875 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.765 0.317 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.401 ' HB2' ' N ' ' A' ' 23' ' ' VAL . 5.8 ptp -134.72 143.22 47.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.0 t -41.09 134.81 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.25 3.33 18.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.68 -20.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -119.94 -24.9 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 62.79 44.24 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.401 ' N ' ' HB2' ' A' ' 17' ' ' MET . 5.4 m -137.85 135.16 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.0 p-90 -113.81 -179.91 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.543 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.0 p -152.22 150.69 30.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -55.24 -39.42 69.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.92 175.37 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -66.44 121.29 14.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -83.56 141.19 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.3 m-85 -84.98 153.73 60.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.76 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.28 0.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.61 166.73 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -99.55 -30.23 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.47 -51.93 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.8 m -58.82 110.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -44.2 -26.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -91.85 107.22 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.9 m -109.5 132.84 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -150.0 130.7 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 33.5 m170 -59.09 106.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.0 OUTLIER -35.72 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -69.96 -54.71 10.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.8 m -46.27 -33.8 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.07 -59.95 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 4.2 ptm180 -56.03 -36.32 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.464 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.99 -61.15 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.9 mmm -50.13 -60.04 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.46 55.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' ILE . 73.9 m-85 -112.94 -70.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.932 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' TYR . 2.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.9 mmt -144.11 123.93 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.2 t -58.19 145.94 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.97 -1.03 30.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.4 -25.51 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 27.4 m -116.63 -21.47 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 7.9 pt-20 43.89 42.28 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.19 147.84 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.0 p-90 -116.83 -176.33 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.558 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.3 m -159.57 148.5 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.53 -54.88 2.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.1 176.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -67.92 146.83 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -106.3 147.98 28.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.7 m-85 -90.06 154.82 47.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.75 -51.28 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.22 0 C-N-CA 122.769 -1.763 . . . . 0.0 112.293 0.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 p -122.23 -172.78 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.8 -24.15 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' CYS . 75.5 t -69.15 -66.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' VAL . 19.1 m -29.57 134.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.5 m -56.37 -47.34 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -93.6 156.57 16.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.68 135.25 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -150.33 121.84 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.496 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 5.5 m170 -60.35 100.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 40' ' ' HIS . 68.4 m-20 -32.63 -42.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.17 -55.38 30.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.8 m -39.62 -41.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -81.1 -34.31 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.3 tpp -98.91 -46.48 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.05 77.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.0 -46.4 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 pt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CG ' HG11 ' A' ' 38' ' ' VAL . 5.0 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.348 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.41 117.62 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -45.54 138.09 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 4.11 5.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.15 -29.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -112.34 -24.87 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 56.92 38.87 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -150.65 153.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.481 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.5 p-90 -116.86 -176.02 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.0 m -157.67 145.76 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -37.04 -60.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -48.35 173.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -74.28 125.74 29.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 38' ' ' VAL . 13.8 tp -79.64 145.97 32.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 2.9 m-85 -103.07 154.39 37.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.75 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.299 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.83 177.04 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -22.07 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.2 t -71.29 -51.04 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.183 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.9 m -54.11 110.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 31.6 p -33.02 -57.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -74.67 122.84 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.465 ' HB ' ' CD2' ' A' ' 29' ' ' LEU . 33.8 m -115.35 141.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -150.75 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -48.48 116.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -41.27 -36.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.59 -56.75 9.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -38.93 -36.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.87 -53.21 42.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -64.67 -33.26 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -68.57 -65.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.9 mmm -54.97 -46.55 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.79 62.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -115.4 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.857 0.361 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 mmt -105.88 116.0 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.82 145.82 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.27 0.48 19.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -128.29 -26.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 33.2 m -114.51 -20.85 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 51.96 40.86 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.9 p -144.08 165.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.1 p-90 -127.43 172.73 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 16.7 p -142.92 150.77 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.08 -41.19 62.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.5 173.26 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 p -64.45 122.37 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt -85.29 139.25 31.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 5.1 m-85 -96.85 152.47 38.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.76 -51.84 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.756 -1.768 . . . . 0.0 112.35 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -138.04 177.34 7.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HD2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -95.31 -32.77 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 99.6 t -54.53 -75.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' THR . 92.5 m -38.13 104.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' CYS . 72.4 p -33.33 -44.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -81.37 123.7 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.54 138.96 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CD1' ' HD3' ' A' ' 31' ' ' PRO . 2.6 p90 -150.98 136.49 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -70.53 141.12 51.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -61.11 -39.7 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.39 -50.78 57.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.469 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.406 ' O ' ' CE ' ' A' ' 47' ' ' MET . 6.2 m -44.31 -51.3 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 12.1 ptt180 -49.4 -27.3 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 1.5 tmt_? -60.55 -58.72 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.406 ' CE ' ' O ' ' A' ' 43' ' ' CYS . 3.5 mpp? -76.2 -43.2 43.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.87 51.5 0.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -95.68 -34.73 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.0 mmm -116.97 150.51 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.413 ' HB2' ' NE2' ' A' ' 40' ' ' HIS . 43.1 t -69.05 149.8 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.43 2.59 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -130.0 -27.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 m -111.04 -26.37 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 55.23 45.12 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.37 147.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -118.43 164.75 14.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 2.9 m -135.44 146.88 48.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.94 -58.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -56.85 -178.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.66 138.48 56.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 30' ' ' PHE . 1.3 tt -97.88 140.66 31.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.5 m-85 -82.8 154.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.75 -50.76 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.389 -0.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.85 177.04 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' VAL . 14.5 ttm180 -95.06 -69.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' ARG . 7.2 p -33.9 -46.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 m -62.47 106.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.2 m -41.23 -64.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -55.35 108.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 m -109.41 130.82 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -150.24 126.33 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 41' ' ' ASP . 5.7 m170 -61.88 102.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' A' ' 40' ' ' HIS . 13.6 p-10 -31.76 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -59.51 -60.05 9.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.68 -37.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.8 mt -57.99 -52.27 66.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -72.87 -32.31 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -65.02 -57.22 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.6 tpp -67.91 -53.43 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.89 67.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -122.54 -41.14 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' OE1' ' NE ' ' A' ' 33' ' ' ARG . 48.8 mt-10 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.408 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 8.7 mmt -107.63 123.09 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -45.73 147.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -79.96 -0.67 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.51 -21.75 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 30.6 m -121.9 -23.04 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HB3' ' A' ' 17' ' ' MET . 38.9 mt-10 59.0 37.17 24.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.0 t -138.84 153.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.59 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.0 p-90 -118.74 -178.1 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.59 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 10.1 p -153.56 146.62 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.54 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.71 -41.91 64.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -70.32 175.98 4.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 p -59.5 129.87 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 3.8 tt -98.81 128.53 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 2.1 m-85 -82.34 153.11 68.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.76 -51.41 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.364 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.1 p -135.35 -174.82 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 7.6 tpp85 -107.0 -55.06 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' ARG . 15.5 m -35.55 -40.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 89.9 m -78.85 109.74 13.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 m -41.53 -45.29 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -71.43 106.67 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 16' ' ' GLU . 27.6 m -105.39 135.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 0.7 OUTLIER -151.39 122.76 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.09 141.41 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.65 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.9 -21.6 31.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 20.4 m -79.0 -38.33 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' A' ' 39' ' ' PHE . 6.1 mt -68.44 -43.98 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.94 -35.48 80.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -55.48 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 19.7 mmm -66.82 -39.49 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.33 58.42 0.58 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.85 -21.63 12.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' CA ' HG22 ' A' ' 38' ' ' VAL . 7.4 pt-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.5 mtp -139.97 139.36 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -52.17 135.07 32.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -75.53 4.05 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.3 -27.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.6 m -114.74 -22.95 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' C ' HG12 ' A' ' 23' ' ' VAL . 33.7 mt-10 53.97 35.9 23.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.414 HG12 ' C ' ' A' ' 22' ' ' GLU . 33.4 m -141.58 170.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 8.4 p-90 -128.55 171.57 11.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 22.6 p -142.65 146.96 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -43.03 -37.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.4 176.96 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 p -68.11 136.4 53.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.21 106.08 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.3 m-85 -82.58 151.57 65.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.564 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.84 -171.53 6.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.35 0.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' PRO . 1.8 p -45.24 173.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' VAL . 22.2 ttp180 -74.52 -52.85 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ARG . 66.0 t -28.08 -42.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ARG . 1.3 p -86.22 90.15 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' CYS . 9.6 t -33.09 -42.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 36' ' ' THR . 20.1 ptt-85 -64.06 112.59 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.451 HG22 ' CA ' ' A' ' 16' ' ' GLU . 34.6 m -112.44 126.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HD3' ' A' ' 31' ' ' PRO . 2.2 p90 -150.01 127.5 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 42' ' ' GLY . 29.7 m170 -54.51 101.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 31.5 t0 -33.61 -34.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -70.72 -55.48 8.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.528 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.7 m -40.93 -39.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.487 HD13 ' CD1' ' A' ' 39' ' ' PHE . 38.0 mt -57.91 -45.39 86.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 5.8 ptm180 -78.31 -30.57 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -69.12 -41.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.5 tpp -94.76 -41.68 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.24 85.82 1.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -129.39 -41.06 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 mmt -143.3 109.5 5.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 22' ' ' GLU . 42.5 t -48.72 137.14 12.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.06 2.77 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.32 -27.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 m -120.58 -19.29 7.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.3 mt-10 50.86 45.62 27.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -138.02 155.0 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.2 p-90 -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 p -156.18 142.67 18.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.515 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -51.77 -34.72 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.65 175.41 7.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -63.74 125.08 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 tt -100.04 129.09 46.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -91.14 154.09 44.85 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.87 -51.16 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.317 0.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 p -163.04 149.65 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' H ' ' NE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -87.62 21.85 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.1 t -113.36 -19.72 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 m -86.51 30.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 m 39.93 34.94 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -172.96 141.47 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.1 m -136.83 130.75 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.475 ' CD1' ' HD3' ' A' ' 31' ' ' PRO . 1.3 p90 -150.87 116.28 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -46.7 109.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -39.98 -39.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.34 99.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 m -58.56 -45.37 89.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.5 -56.99 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.45 -24.67 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -67.78 -61.85 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.462 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 68.4 mtm -60.01 -41.04 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.12 51.74 0.81 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.462 ' CE2' ' HE2' ' A' ' 47' ' ' MET . 25.3 m-85 -103.4 -42.26 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.4 mmm -134.15 122.51 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' GLU . 47.3 t -43.47 132.75 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.03 -1.1 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.45 -32.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -110.14 -29.63 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' CYS . 51.0 mt-10 61.17 45.42 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.43 129.51 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.416 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.5 p-90 -97.12 173.48 7.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 p -149.34 145.99 27.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.42 -39.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 173.79 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 t -61.29 134.9 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 tt -99.0 127.49 44.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.0 m-85 -83.53 153.67 65.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.789 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.85 -51.43 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.355 0.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.1 -177.1 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -105.68 -34.42 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.437 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 22.4 m -59.62 -40.8 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 3.4 p -79.95 100.22 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 55.1 m -33.39 -56.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -57.98 103.78 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.1 m -104.24 132.81 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.478 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 0.8 OUTLIER -150.82 120.57 7.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -59.31 122.06 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -40.85 -51.61 3.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ARG . . . -56.4 -57.59 18.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -38.17 -32.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 HD22 ' CB ' ' A' ' 49' ' ' TYR . 14.5 mt -63.74 -48.26 77.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.8 ptt85 -78.23 -33.9 49.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.36 -39.81 94.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.2 tpp -93.58 -58.22 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.48 73.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.408 ' CB ' HD22 ' A' ' 44' ' ' LEU . 18.9 m-85 -119.23 -40.97 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' ' CE ' ' A' ' 17' ' ' MET . 4.4 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 16' ' ' GLU . 8.1 mmt -139.58 116.8 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' GLU . 49.8 t -43.46 144.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.815 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -76.41 -2.98 34.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.63 -22.39 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 20.4 m -124.85 -15.89 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 13.7 pt-20 44.21 48.55 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.35 151.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.428 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 6.1 p-90 -118.83 -177.43 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.8 p -157.36 143.37 17.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.3 -37.47 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.69 177.04 7.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.71 137.7 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 30' ' ' PHE . 1.6 tt -111.01 131.4 55.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -82.64 153.27 67.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.787 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.561 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 54.3 Cg_endo -69.68 -51.96 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.396 -0.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.9 p -136.68 177.27 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -25.36 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.67 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.6 m -40.77 150.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -84.11 35.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -155.75 126.24 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 16' ' ' GLU . 16.0 m -119.85 129.66 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.9 p90 -151.04 133.58 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.451 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 3.7 m170 -72.33 124.38 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -45.61 -56.47 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.28 -44.24 14.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 93.9 m -61.36 -33.25 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.0 -52.14 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.69 -29.75 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -61.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.65 -54.51 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.81 50.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -104.94 -36.25 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mmt -132.89 133.92 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 t -50.66 153.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -87.77 -9.19 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.21 -13.96 10.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 m -125.51 -31.41 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 62.32 43.36 8.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.3 p -140.15 168.53 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.58 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.3 p-90 -132.82 171.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.58 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.8 p -143.71 149.5 37.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.4 -39.72 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.13 171.32 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -58.77 141.37 53.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD23 ' CG2' ' A' ' 38' ' ' VAL . 22.4 tp -111.35 119.79 40.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.8 m-85 -85.81 152.02 56.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.3 Cg_endo -69.79 -175.03 10.27 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.35 0.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' PRO . 4.8 p -32.25 146.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -58.2 -35.86 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.476 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 85.2 t -54.63 -32.13 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.6 m -71.2 92.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.1 p -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -78.6 121.14 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.48 ' CG2' HD23 ' A' ' 29' ' ' LEU . 18.5 m -109.94 130.37 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -151.2 134.06 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -67.31 133.77 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -36.61 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.52 -46.27 70.92 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.28 -31.52 9.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.26 -64.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -50.01 -37.39 32.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -59.06 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 72.7 mtp -57.92 -47.25 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.4 59.64 0.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -104.34 -46.63 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.559 -0.217 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -164.75 141.05 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -138.41 147.09 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.59 90.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.5 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -164.46 126.16 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.3 m -134.13 176.32 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.11 92.05 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 0.55 5.44 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -106.53 99.14 8.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -81.95 141.33 47.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 156.34 63.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.56 144.1 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.1 117.79 50.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.504 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.7 OUTLIER -113.0 135.35 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.42 -12.53 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' C ' HG22 ' A' ' 38' ' ' VAL . 25.2 mp0 -93.26 54.22 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.7 mtt -113.86 119.82 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' MET . 25.1 t -34.49 140.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.17 -3.92 55.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -118.8 -15.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.7 m -126.43 -26.44 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 57.83 38.06 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.9 148.75 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.4 p-90 -118.89 -175.8 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.503 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.8 m -157.73 147.93 20.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -39.72 -60.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.93 176.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -67.76 138.82 56.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.434 HD23 ' CG2' ' A' ' 38' ' ' VAL . 23.7 tp -94.38 144.08 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 62' ' ' ALA . 3.3 m-85 -91.22 153.92 44.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.77 -48.84 0.25 Allowed 'Cis proline' 0 C--O 1.233 0.226 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.288 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 m -119.19 176.14 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -94.85 -52.45 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 36' ' ' THR . 94.1 t -61.32 -52.09 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' THR . 33.0 m -46.19 94.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' CYS . 59.2 m -33.1 -57.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 16.0 tpt180 -63.24 103.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.434 ' CG2' HD23 ' A' ' 29' ' ' LEU . 33.9 m -108.32 134.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -151.04 125.27 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -61.46 128.94 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -49.11 -39.53 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.98 82.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.7 -27.47 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.7 mt -79.44 -59.46 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -55.26 -42.11 73.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.1 mmm -40.95 -55.21 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.86 46.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -105.93 -38.34 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mt -100.35 -70.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.185 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 38.95 43.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.81 140.37 14.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -69.9 90.27 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.9 p -115.84 41.21 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.82 119.19 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.27 162.91 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.44 39.28 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.97 135.8 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.3 m -87.33 -73.28 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -144.85 111.37 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.9 mmt -128.98 45.48 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.54 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -100.41 -48.32 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' CD2' ' C ' ' A' ' 63' ' ' HIS . 2.7 t60 -37.01 -55.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.9 p -43.1 150.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -56.72 -54.16 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.5 p -106.57 84.38 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.184 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.42 -114.24 1.72 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -97.33 134.66 40.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.703 0.287 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.25 118.77 37.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.5 p -50.78 173.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.44 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 64.5 t60 -66.16 -49.68 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.424 ' CE2' ' HG2' ' A' ' 37' ' ' ARG . 20.5 m-85 -42.74 -59.11 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 p -65.23 -50.1 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 13.5 m-20 45.04 42.29 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -79.03 145.53 33.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.6 pt -92.75 40.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 77' ' ' ASN . 2.4 t30 -63.73 -61.69 2.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.8 tp -37.58 138.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp -87.53 93.56 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tp -170.33 154.85 4.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -58.62 119.86 7.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 83' ' ' GLU . 5.3 tp10 -120.75 42.03 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 82' ' ' GLU . 35.1 tt0 -36.43 113.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.4 p -101.76 164.96 11.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.18 71.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.51 60.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.0 p -55.66 116.4 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 m -40.88 119.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.207 -0.774 . . . . 0.0 112.522 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -62.16 165.85 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -151.82 150.86 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.8 178.02 39.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m 55.93 44.73 25.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -54.3 129.39 35.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.97 72.93 0.47 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 -3.58 12.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.338 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mtm105 -121.66 158.8 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.42 138.59 11.57 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.8 5.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 p -173.92 137.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.4 m -118.41 159.93 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -115.67 112.95 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.82 -67.3 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -134.62 126.66 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.414 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 15.9 mtp -141.99 141.83 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -40.33 133.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -76.94 5.21 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -125.35 -20.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.89 -28.79 4.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' C ' ' HB3' ' A' ' 17' ' ' MET . 59.8 mt-10 64.56 44.6 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.99 129.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.402 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.4 p-90 -104.0 170.9 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.9 m -149.38 145.78 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -32.59 -53.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -144.15 176.3 9.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t 74.63 28.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 tp -101.49 89.93 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 8.7 m-85 -86.0 154.48 57.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 -52.01 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.367 -0.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.44 156.68 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -21.25 27.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.61 -20.39 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.1 m -91.74 32.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' CYS . 17.0 m 34.01 36.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' CYS . 16.6 tpp180 -175.26 136.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.6 m -137.61 139.96 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -150.37 111.52 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -39.3 114.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.02 -35.88 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.66 80.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.01 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.6 -58.63 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -53.15 -39.0 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -63.51 -55.23 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 26.5 mtp -68.46 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 48.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ILE . 18.3 m-85 -92.16 -50.59 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' TYR . 26.8 mt -33.96 -64.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.164 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 52' ' ' GLY . 29.4 tt0 -169.75 143.29 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 51' ' ' GLN . . . -36.78 -75.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -146.32 173.58 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.331 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.4 t -122.35 175.45 6.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.01 5.14 45.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.05 159.43 9.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -79.74 97.43 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.7 m -123.93 168.47 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.122 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.1 m -143.45 130.13 20.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -91.24 158.92 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 22.7 ptp -128.25 124.49 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.86 -49.58 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -73.37 76.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.6 p -145.65 167.39 23.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -58.89 -36.3 74.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 p -80.01 -23.7 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.6 178.75 3.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -118.59 132.35 56.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -78.36 115.2 17.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.3 m -43.11 148.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -40.59 -35.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -94.96 -51.0 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 47.9 m -55.36 132.0 47.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -148.39 153.01 37.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.25 133.8 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.7 pt -112.97 141.83 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -167.06 164.86 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 tp -57.71 -55.33 36.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 pp -47.21 130.71 13.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 81' ' ' THR . 12.0 tp -142.31 153.41 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' LEU . 68.4 p -36.44 130.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -105.49 142.77 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 84' ' ' SER . 22.5 tt0 -162.39 150.26 14.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' GLU . 81.2 p -36.82 134.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.61 82.36 0.25 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.413 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 1.1 t -120.19 155.18 33.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 29.5 t -35.62 117.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -162.92 167.39 22.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -145.72 162.05 38.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.25 -63.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -48.18 -47.53 35.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.388 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -124.73 163.35 22.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.54 77.17 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 6.66 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -52.52 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -173.29 138.74 0.81 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 121.557 0.694 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 143.03 49.6 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.773 2.315 . . . . 0.0 112.338 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 13' ' ' VAL . 11.6 p -175.09 140.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' N ' HG23 ' A' ' 12' ' ' VAL . 24.1 m -112.66 126.7 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -121.79 88.66 2.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -74.89 -51.8 12.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -116.0 97.63 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.474 ' N ' HG21 ' A' ' 38' ' ' VAL . 3.2 mmt -143.69 124.32 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' GLU . 32.9 t -50.04 141.71 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.33 -6.7 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.02 -28.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 m -113.44 -27.08 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.1 mm-40 53.19 46.94 25.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.89 137.18 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.571 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.6 p-90 -110.1 171.19 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.427 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 19.1 p -143.94 143.25 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.28 -38.13 5.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -68.77 172.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -69.42 118.93 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.79 151.56 30.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 4.2 m-85 -102.24 153.07 38.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.72 -29.39 5.72 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.399 -0.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.84 146.22 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.35 -35.17 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 33' ' ' ARG . 12.4 p -32.18 -45.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' THR . 2.4 p -81.39 120.9 25.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 47.6 m -34.43 -58.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -72.3 142.25 48.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.474 HG21 ' N ' ' A' ' 17' ' ' MET . 34.3 m -128.99 141.25 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.427 ' CD1' HD12 ' A' ' 44' ' ' LEU . 2.1 p90 -150.89 117.78 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -59.76 106.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -38.88 -36.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.6 -46.53 89.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.6 m -54.19 -45.78 72.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 39' ' ' PHE . 27.7 mt -64.26 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.55 -36.18 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 46' ' ' ARG . 6.5 tmm_? -61.67 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 25.5 mtp -57.19 -49.72 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.58 37.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.446 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -89.51 -41.08 12.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.2 mm -49.28 -64.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -135.82 -179.78 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.65 136.53 9.0 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t70 46.32 44.61 12.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 p -156.3 165.9 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.19 176.7 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.56 134.22 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -119.79 81.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.8 m -117.93 164.32 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 t -64.92 154.09 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -87.57 103.84 15.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.7 mtm -151.55 107.47 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -107.48 -61.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -75.66 -42.92 50.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.5 m -57.89 134.9 56.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' THR . 7.6 tp10 40.75 41.79 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' GLU . 60.3 p 35.71 43.47 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' THR . . . -36.53 -65.96 0.5 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.454 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -126.78 145.39 50.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.4 t -129.64 122.02 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.3 m -45.39 138.85 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -41.1 -31.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 6.6 p90 -125.93 43.38 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 t -88.63 149.95 23.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.26 103.5 0.12 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -139.84 143.79 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.16 171.37 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.57 101.22 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -101.45 174.22 6.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -65.44 120.42 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 pp -134.98 151.01 50.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 48.1 m -98.64 149.77 22.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -80.42 92.03 5.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.0 pt-20 -139.84 169.42 17.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' GLU . 45.5 m -37.88 141.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.79 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.08 91.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.83 64.85 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.3 p -88.97 174.9 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -114.14 118.55 34.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.456 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -49.17 104.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -121.67 88.52 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.38 58.98 0.68 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -57.18 -17.48 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -94.61 125.59 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.42 72.1 0.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.438 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 6.97 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.361 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 17.2 ttm180 -86.09 135.28 33.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 20.7 mm-40 36.09 51.55 1.66 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 53.4 Cg_endo -69.78 128.4 15.96 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' VAL . 90.3 t -102.63 134.52 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.1 p -34.23 143.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -146.04 138.21 25.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -126.91 -58.94 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -118.52 100.28 7.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 16.3 mmm -127.49 129.62 47.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.1 t -48.4 139.34 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -77.25 1.59 18.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.65 -23.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.8 m -120.17 -21.22 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 52.43 44.71 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.68 155.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.2 p-90 -123.12 172.98 8.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.4 p -145.82 148.83 33.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.478 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.77 -38.8 64.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.68 177.92 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -68.6 140.01 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD2' ' HB ' ' A' ' 38' ' ' VAL . 21.9 tp -108.05 158.68 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.9 m-85 -115.53 155.56 47.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.85 -51.47 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -127.1 170.7 12.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -23.4 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.34 -40.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 m -59.94 149.99 30.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 p -81.95 37.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -173.7 111.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' HB ' ' CD2' ' A' ' 29' ' ' LEU . 35.8 m -106.6 141.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -150.9 113.55 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -48.69 148.42 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -77.69 -36.01 51.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 -10.55 81.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.3 -49.32 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 49' ' ' TYR . 41.6 mt -54.68 -38.74 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 7.4 ptp180 -68.81 -37.18 79.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.5 tmt_? -78.03 -68.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.515 ' HE1' ' CE2' ' A' ' 49' ' ' TYR . 3.6 tmm? -35.62 -56.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.59 60.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.515 ' CE2' ' HE1' ' A' ' 47' ' ' MET . 9.1 m-85 -123.27 -70.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -66.57 -56.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -75.79 111.7 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.29 -134.87 3.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -114.12 41.32 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.3 p -96.13 -60.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.68 178.6 6.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.69 178.42 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -63.62 112.55 2.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.2 t -145.18 106.46 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.7 t -39.52 160.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -127.55 105.24 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.8 mmt -96.91 83.03 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.23 -59.3 2.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.071 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -76.62 86.57 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' GLU . 3.3 m -142.57 158.7 43.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' THR . 29.7 tt0 -36.18 -57.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 78.3 p -85.26 -48.74 8.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.24 -171.15 18.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -124.64 119.41 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -78.55 126.66 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -50.81 -179.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -76.32 -49.83 15.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -55.37 -16.9 4.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.9 m -53.91 148.98 9.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -90.87 37.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.772 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -123.82 129.83 51.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -110.76 66.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -122.39 83.55 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tt -151.05 106.49 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mt -139.24 160.16 40.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.67 128.88 38.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.9 p -130.15 -39.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -155.35 162.77 40.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -153.34 111.37 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -130.0 151.01 51.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.45 65.56 0.54 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -173.42 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.625 2.217 . . . . 0.0 112.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.1 t 66.08 40.94 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.4 t -95.73 133.27 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.432 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -172.27 146.74 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -63.54 -43.89 95.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.925 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.06 -97.53 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p 43.04 41.09 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p -141.35 131.16 24.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.39 149.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.429 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -7.34 20.82 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -136.83 140.75 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 3.6 mt-10 -46.66 -62.24 2.09 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.651 0.738 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.9 Cg_endo -69.69 149.78 67.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 m -111.59 129.64 66.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -133.17 48.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.452 ' HB3' ' CE ' ' A' ' 17' ' ' MET . 2.1 t-20 -99.07 -177.58 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -123.58 -43.45 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -83.91 83.18 8.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.452 ' CE ' ' HB3' ' A' ' 14' ' ' ASN . 8.5 mmt -116.21 116.8 28.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 41.6 t -47.3 142.52 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.98 -3.16 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -123.6 -30.63 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 m -111.2 -21.96 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' CYS . 45.6 mt-10 52.22 43.23 30.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -140.68 165.25 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 8.3 p-90 -130.02 173.11 11.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.444 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 9.5 p -142.01 148.04 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.7 -41.19 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -73.96 174.08 9.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 m -58.98 127.25 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.82 144.39 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HA2' ' A' ' 67' ' ' GLY . 5.7 m-85 -90.54 153.09 45.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.544 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.75 -47.04 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.411 -0.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.87 -177.16 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.64 -24.12 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.2 t -69.83 -48.92 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' THR . 97.2 m -66.91 112.08 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' CYS . 36.6 p -37.63 -59.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -59.6 121.35 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.12 139.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.544 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -149.89 112.4 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -54.06 111.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.13 -31.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.3 -58.0 7.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.2 m -43.95 -40.11 4.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.98 -58.62 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.1 -26.28 62.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.68 -61.14 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.464 ' HE1' ' CE2' ' A' ' 49' ' ' TYR . 30.1 mtm -79.07 -55.06 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.63 53.01 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CE2' ' HE1' ' A' ' 47' ' ' MET . 14.0 m-85 -93.48 -44.48 8.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.929 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.427 HD12 ' C ' ' A' ' 50' ' ' ILE . 2.5 pp -119.18 -32.27 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.422 ' HB2' ' CD1' ' A' ' 50' ' ' ILE . 5.9 tt0 -114.09 112.14 22.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.02 43.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -134.53 156.56 48.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.1 t -71.87 -40.02 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.98 5.7 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.29 126.89 53.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.27 69.81 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.5 t -120.1 140.18 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 t -160.55 133.33 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 53.53 42.35 31.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.23 -42.07 21.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.7 -50.64 65.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' THR . 27.9 t-80 -62.73 -42.63 99.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' HIS . 87.3 m -37.3 -66.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 67' ' ' GLY . 9.0 tt0 -110.12 130.95 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.3 m -43.32 91.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.561 ' HA2' ' CE2' ' A' ' 30' ' ' PHE . . . 68.87 115.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -75.71 132.34 40.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.775 0.322 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.7 m -85.44 113.19 21.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.584 ' SG ' ' CD1' ' A' ' 72' ' ' TYR . 4.3 p -46.24 161.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -71.18 -19.52 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.584 ' CD1' ' SG ' ' A' ' 70' ' ' CYS . 23.5 p90 -106.87 36.37 2.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.3 m -78.11 47.69 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -161.7 142.49 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -111.51 38.23 2.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.0 pt -72.08 131.65 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -67.47 88.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.5 tp -108.23 129.26 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.01 142.89 27.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -145.73 149.07 33.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.0 p -64.35 102.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.16 89.13 4.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -109.77 42.48 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -163.62 160.64 23.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.39 68.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.543 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -29.63 23.54 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.0 t -134.76 143.93 47.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.0 m -54.32 155.52 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.812 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.49 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -108.07 145.69 33.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.869 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -143.6 175.78 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 125.52 3.73 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -127.56 104.76 8.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 110.909 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 p -146.67 126.18 13.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.34 -168.17 27.86 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.464 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -3.09 11.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -96.39 142.32 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.26 121.85 33.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.721 0.772 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 129.34 17.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.6 m -88.4 140.41 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -108.97 142.52 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.508 ' ND2' ' CD1' ' A' ' 24' ' ' TRP . 27.9 m120 -91.98 174.25 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -121.52 -52.36 2.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' CG ' HG13 ' A' ' 38' ' ' VAL . 16.2 pt-20 -132.23 129.58 39.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.427 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 17.3 mtp -133.56 146.31 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.86 150.24 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.17 0.8 50.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -127.36 -27.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.1 m -110.97 -23.82 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' C ' ' HB3' ' A' ' 17' ' ' MET . 28.7 mt-10 56.15 41.54 29.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -136.67 147.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.5 p-90 -120.23 176.59 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.555 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 15.1 p -150.38 151.62 33.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -57.13 -37.29 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -74.12 177.49 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -66.3 125.36 25.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.799 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -92.56 140.1 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CE2' ' HB1' ' A' ' 62' ' ' ALA . 3.3 m-85 -82.8 152.33 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.564 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.79 -50.43 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.271 0.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -140.92 -176.42 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 3.2 ptm180 -104.06 -33.87 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 97.2 t -45.45 -69.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.9 m -39.35 157.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.5 p -90.9 44.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -174.88 160.59 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG13 ' CG ' ' A' ' 16' ' ' GLU . 16.5 m -135.21 132.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 2.6 p90 -151.39 122.87 7.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -71.67 122.63 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -46.38 -46.62 18.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.9 -25.48 59.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.365 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 m -80.27 -33.75 37.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.9 -43.66 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -58.39 -30.85 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -66.26 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.9 mmm -61.36 -54.19 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.04 48.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -94.0 -37.92 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 pt -106.62 -29.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -173.18 170.99 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.74 -43.83 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -37.91 -46.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.8 p -149.47 153.2 36.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.73 143.56 44.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.64 136.49 54.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.57 45.86 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.5 t -100.11 127.04 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.5 m -40.62 141.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -125.06 130.27 51.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.7 mmt -134.21 132.2 39.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.557 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -120.45 -42.12 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.036 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -81.99 45.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.7 p -140.96 146.42 37.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -47.04 141.21 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p 43.36 37.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.31 -117.7 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -80.9 146.5 30.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.328 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -104.15 97.09 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 71' ' ' HIS . 4.7 m -44.23 157.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 70' ' ' CYS . 17.6 m-70 -35.21 -40.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -98.13 -45.32 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.3 m -53.28 145.73 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -170.05 157.41 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -132.0 154.84 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.1 pt -53.44 -29.78 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.43 96.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 tp -94.2 150.85 19.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.29 179.93 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.55 ' CD2' ' C ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -136.18 165.34 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.445 ' N ' ' CD2' ' A' ' 80' ' ' LEU . 24.9 m -149.01 134.74 18.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.203 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -104.52 105.57 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 154.07 50.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -85.76 175.63 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.71 112.31 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.63 59.62 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.353 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 m -42.33 119.92 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.8 p -71.5 146.63 48.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.513 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -102.46 142.21 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 0.0 110.807 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -61.98 150.22 38.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.0 -101.73 0.18 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -174.18 178.45 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -86.11 103.83 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.73 65.85 2.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.71 3.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.56 23.94 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -134.13 114.34 12.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.689 0.757 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 140.05 41.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 13' ' ' VAL . 15.9 m -124.34 83.1 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.2 p -36.55 139.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -113.33 94.44 4.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.33 -46.23 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -136.42 113.42 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -132.39 118.99 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 22' ' ' GLU . 36.5 t -51.44 144.09 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 37' ' ' ARG . 72.0 m-20 -77.26 -4.64 45.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.13 -26.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m -115.59 -26.65 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.2 mm-40 51.4 48.6 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.49 135.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -99.68 167.72 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.496 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.7 p -139.56 148.28 42.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -47.88 -38.96 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.45 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -78.16 130.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' CD2' ' HB ' ' A' ' 38' ' ' VAL . 6.3 tp -83.54 161.21 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.521 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.0 m-85 -119.37 153.82 53.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 52.6 Cg_endo -69.8 -38.47 1.62 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.236 0.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.74 140.3 14.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.2 ppt_? -77.77 -30.98 51.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ARG . 33.3 m -35.62 -39.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.9 p -86.82 122.81 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 87.7 m -35.87 -62.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.496 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 33.2 ttt-85 -72.85 119.99 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 29' ' ' LEU . 33.7 m -110.34 145.16 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -150.63 111.28 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.407 ' NE2' HD12 ' A' ' 29' ' ' LEU . 46.1 m170 -50.56 138.32 17.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.03 -35.11 79.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.08 -34.45 64.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.14 -50.21 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.33 -57.61 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 23.3 ptt180 -52.75 -35.24 55.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 6.7 tmm_? -71.72 -70.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.1 mmm -47.83 -38.67 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.5 69.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -122.57 -46.74 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.0 pt -95.17 -30.51 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -111.15 116.14 30.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.34 -73.65 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -72.28 -52.0 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.75 0.31 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -112.86 114.95 27.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.15 115.36 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.16 110.88 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -101.25 98.01 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.13 137.45 54.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 60' ' ' GLU . 90.5 m -40.61 154.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 59' ' ' THR . 60.0 mt-10 -67.6 87.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 19.0 ptp -172.87 134.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.76 -44.18 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 63' ' ' HIS . 2.9 t-160 -83.04 -56.37 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 t -68.03 153.16 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' THR . 11.5 tt0 50.83 41.68 26.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 74.0 p 34.83 41.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -38.97 -92.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -123.94 118.87 28.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -94.32 129.87 40.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.015 0.436 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.5 m -44.97 146.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -44.35 -42.85 7.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.588 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -110.92 35.97 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.12 145.71 28.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -48.07 169.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m120 62.13 42.32 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mt -59.48 101.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -111.1 92.92 4.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tt -89.94 129.68 36.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -122.52 144.24 49.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.04 133.33 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -125.65 165.14 19.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.61 154.75 20.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 66.47 41.08 3.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.4 m -154.61 137.82 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.15 64.04 0.6 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 167.69 23.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.745 2.297 . . . . 0.0 112.297 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.9 m -113.25 83.54 1.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.4 m 45.72 42.1 8.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.49 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m -99.19 -60.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -141.27 176.64 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.795 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.88 -160.3 8.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -105.09 140.04 38.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -54.76 136.84 45.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.58 -73.08 0.29 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 4.04 2.39 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.403 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -71.63 168.83 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -115.87 112.67 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.706 0.765 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 179.19 3.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.339 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m -91.98 138.78 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -51.93 142.99 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -115.71 163.13 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.75 -41.7 3.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' HG21 ' A' ' 38' ' ' VAL . 19.3 mt-10 -79.99 49.99 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mmm -107.81 126.96 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.8 t -41.24 149.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.0 -0.73 56.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.8 t -125.54 -16.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -123.36 -29.38 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.36 42.42 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 m -146.96 142.35 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.4 p-90 -113.35 176.92 4.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.551 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.3 p -149.08 149.72 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.131 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -49.78 -40.34 41.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.49 175.58 4.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m -66.1 133.8 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -99.08 132.55 44.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.6 m-85 -83.52 151.99 63.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.74 -50.7 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.327 -0.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.24 -178.01 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -113.18 -26.47 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.09 -34.72 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 36' ' ' THR . 98.9 m -87.49 106.09 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.7 m -32.01 -45.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -67.46 101.22 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.427 HG21 ' C ' ' A' ' 16' ' ' GLU . 28.2 m -106.07 129.16 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -151.34 123.88 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -49.96 152.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.53 -37.93 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.93 -50.27 36.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 m -40.28 -42.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.3 -64.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 43.1 ptt85 -53.31 -35.84 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -54.08 -49.05 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.6 mtm -84.34 -54.99 4.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.45 58.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -110.98 -38.98 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.8 mt -60.33 -60.15 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -83.08 137.43 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.89 89.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 63.31 32.19 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.3 p -167.28 121.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.97 6.15 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.35 1.94 11.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 1.5 pm0 -133.92 44.05 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.1 m -111.03 140.39 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.9 m -132.41 90.42 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -122.52 98.23 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 38.0 mtt -153.88 132.85 12.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.15 159.64 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 45.69 39.16 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' GLU . 1.3 m -114.44 177.31 4.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 64' ' ' THR . 10.0 pt-20 -34.16 -38.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' THR . 27.1 m -91.42 -60.21 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.136 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.57 -134.77 7.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.554 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.433 ' O ' ' CE3' ' A' ' 68' ' ' TRP . 5.5 p-90 -124.26 125.7 44.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -138.42 113.2 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.2 p -69.39 -179.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -73.94 -39.51 63.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -91.25 38.17 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.5 m -101.4 129.77 47.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -155.75 119.01 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -102.46 -50.15 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 2.8 pp -118.27 158.92 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -82.39 113.06 19.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 76' ' ' ILE . 5.1 tt -133.67 99.21 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.59 112.97 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.76 152.47 19.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 82' ' ' GLU . 13.6 t -62.29 -32.24 72.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 81' ' ' THR . 2.9 pp20? 31.2 42.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 83' ' ' GLU . 10.3 tm-20 -83.63 45.2 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.0 p -74.96 -32.97 61.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.27 77.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 176.71 6.38 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.752 2.302 . . . . 0.0 112.362 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 2.7 m -151.83 175.88 11.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 44.0 p -35.42 121.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.557 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m -139.61 151.11 45.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -46.89 134.42 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.11 61.16 0.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -94.03 133.88 37.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 110.783 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -51.74 -48.19 63.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.6 73.25 1.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' O ' ' C ' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.69 -36.33 11.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 8' ' ' PRO . 3.5 ptm180 30.24 48.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -111.38 129.07 24.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 126.82 13.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.576 2.184 . . . . 0.0 112.346 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.37 153.35 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.49 120.06 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -150.41 -179.53 7.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.55 -34.29 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' C ' HG22 ' A' ' 38' ' ' VAL . 9.2 tt0 -80.53 44.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.963 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 mtp -108.4 133.51 52.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.7 t -50.54 143.13 9.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.94 0.1 36.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.72 -21.05 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -121.22 -27.46 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 62.02 46.87 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -148.05 141.45 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.7 p-90 -112.31 179.98 3.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.552 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 m -155.58 150.3 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.53 -60.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.47 169.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -66.46 125.55 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.9 133.23 35.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 7.8 m-85 -84.18 151.86 60.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.79 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.398 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -130.54 -179.69 5.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -116.5 -23.45 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.31 -59.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.1 m -41.57 145.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -78.19 45.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -174.46 113.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.417 HG22 ' C ' ' A' ' 16' ' ' GLU . 29.5 m -108.2 129.96 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 39' ' ' PHE . 1.1 p90 -151.18 127.57 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -53.29 159.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -83.68 -26.85 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.27 -24.37 54.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.442 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.25 -33.21 75.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.79 -51.85 13.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -61.07 -40.63 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 7.0 tmm_? -59.29 -59.07 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 46.9 mtp -63.14 -52.74 61.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.41 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -91.46 -43.07 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 pt -111.96 -21.27 5.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -172.41 155.21 3.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -127.9 -58.91 0.12 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -49.31 123.74 7.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 90.2 p -86.43 138.16 31.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.14 -175.96 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.13 39.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -121.17 118.97 31.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -120.43 170.52 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.6 m -134.07 131.31 38.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -148.26 172.55 14.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 mmm 61.75 46.2 7.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.1 -58.13 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.2 68.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.1 p -146.78 166.54 26.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -50.09 131.29 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.4 p 39.94 42.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.05 -127.73 1.21 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -102.38 120.53 40.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.5 p -106.37 146.78 30.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.45 ' SG ' ' C ' ' A' ' 72' ' ' TYR . 2.7 p -48.09 175.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -68.65 -36.58 78.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 72' ' ' TYR . 37.9 p90 -126.86 93.49 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.21 178.26 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -59.7 -47.06 87.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -96.77 124.19 40.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.9 pt -103.68 147.22 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -153.02 176.17 12.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 tp -76.41 154.71 34.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.55 102.93 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 pp -43.31 163.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 p -68.37 91.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -107.37 118.61 37.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -138.68 124.55 19.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.8 p -170.04 150.07 3.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.14 93.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 141.17 44.4 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 m -81.45 90.18 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.5 p -154.62 146.67 23.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.447 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -39.64 128.65 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -168.61 130.78 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.05 -60.5 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -135.14 114.79 12.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -144.51 120.53 10.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 69.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -4.96 15.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.99 150.32 21.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -108.79 133.55 20.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 113.78 3.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.668 2.246 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.75 139.31 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 t -93.09 136.34 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -160.73 -178.86 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.73 -37.16 6.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -84.13 53.18 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.401 ' HB2' ' N ' ' A' ' 23' ' ' VAL . 5.8 ptp -134.72 143.22 47.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.0 t -41.09 134.81 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.25 3.33 18.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.68 -20.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -119.94 -24.9 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 62.79 44.24 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.401 ' N ' ' HB2' ' A' ' 17' ' ' MET . 5.4 m -137.85 135.16 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.0 p-90 -113.81 -179.91 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.543 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.0 p -152.22 150.69 30.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -55.24 -39.42 69.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.92 175.37 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -66.44 121.29 14.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -83.56 141.19 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.3 m-85 -84.98 153.73 60.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.76 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.28 0.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.61 166.73 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -99.55 -30.23 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.47 -51.93 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.8 m -58.82 110.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -44.2 -26.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -91.85 107.22 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.9 m -109.5 132.84 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -150.0 130.7 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 33.5 m170 -59.09 106.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.0 OUTLIER -35.72 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -69.96 -54.71 10.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.8 m -46.27 -33.8 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.07 -59.95 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 4.2 ptm180 -56.03 -36.32 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.464 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.99 -61.15 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.9 mmm -50.13 -60.04 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.46 55.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' ILE . 73.9 m-85 -112.94 -70.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.932 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' TYR . 2.1 mt -31.43 -50.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -127.79 158.13 38.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.37 -91.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -100.36 38.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.358 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -154.21 162.87 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.28 167.56 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -171.94 172.58 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -110.34 85.67 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.3 m -132.8 167.35 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.1 m -118.81 -23.61 6.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 64.05 46.78 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.0 mmt -63.9 102.82 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.21 -47.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -73.35 -44.17 59.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.8 m -53.36 163.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -42.05 164.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' GLY . 51.6 p 41.19 45.4 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' THR . . . -35.15 135.04 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -72.17 137.94 47.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.4 p -84.99 143.13 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.52 -172.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' CYS . 58.1 t-80 -76.43 -67.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.797 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -43.09 -22.44 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' HIS . 6.8 m -56.22 -53.31 58.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -143.78 122.09 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -70.91 122.42 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.03 124.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -72.04 -52.26 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 tp -84.87 86.3 7.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -91.17 111.6 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -35.72 111.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LEU . 3.4 t -37.48 119.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -160.56 120.4 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -98.38 46.39 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 m -122.47 37.74 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.787 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.58 120.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -5.64 16.65 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.762 2.308 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.0 p -108.71 46.38 0.97 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -165.68 169.59 15.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.411 ' C ' ' HB3' ' A' ' 79' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -122.67 162.64 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.366 . . . . 0.0 110.818 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -131.52 152.06 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.912 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.3 -131.67 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -130.25 99.41 5.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -164.28 159.37 19.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 108.52 3.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.452 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -3.88 12.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.661 2.24 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -105.61 41.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -151.72 151.18 27.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.691 0.757 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.734 2.289 . . . . 0.0 112.32 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 13' ' ' VAL . 87.0 t -136.63 136.34 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.8 t -34.06 151.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' VAL . 7.4 p-10 36.93 49.37 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -57.92 -42.21 84.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -64.86 107.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.9 mmt -144.11 123.93 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.2 t -58.19 145.94 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.97 -1.03 30.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.4 -25.51 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 27.4 m -116.63 -21.47 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 7.9 pt-20 43.89 42.28 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.19 147.84 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.0 p-90 -116.83 -176.33 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.558 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.3 m -159.57 148.5 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.53 -54.88 2.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.1 176.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -67.92 146.83 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -106.3 147.98 28.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.7 m-85 -90.06 154.82 47.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.75 -51.28 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.22 0 C-N-CA 122.769 -1.763 . . . . 0.0 112.293 0.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 p -122.23 -172.78 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.8 -24.15 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' CYS . 75.5 t -69.15 -66.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' VAL . 19.1 m -29.57 134.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.5 m -56.37 -47.34 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -93.6 156.57 16.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.68 135.25 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -150.33 121.84 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.496 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 5.5 m170 -60.35 100.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 40' ' ' HIS . 68.4 m-20 -32.63 -42.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.17 -55.38 30.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.8 m -39.62 -41.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -81.1 -34.31 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.3 tpp -98.91 -46.48 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.05 77.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.0 -46.4 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 pt -87.61 -16.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -143.64 120.77 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.8 -83.47 1.5 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.01 176.15 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 p -85.15 44.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.58 115.94 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.88 125.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.78 30.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.67 132.51 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.2 t -148.03 148.51 30.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -132.61 141.06 48.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.0 mtm -132.77 84.33 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.93 173.22 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.5 t60 46.9 38.89 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 83.7 m -131.52 -41.8 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' THR . 1.9 tp10 -128.43 -175.28 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' GLU . 28.7 m -35.86 -41.61 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.24 148.12 4.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.427 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.415 ' CE3' ' O ' ' A' ' 69' ' ' SER . 4.3 t90 -105.4 149.04 26.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.803 0.335 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.415 ' O ' ' CE3' ' A' ' 68' ' ' TRP . 16.3 m -78.3 139.13 38.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.5 m -64.39 174.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -51.91 -47.38 64.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -112.16 47.03 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.5 m -137.73 142.25 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 31.6 p30 -173.46 163.22 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -109.96 172.86 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.8 mt -78.55 97.06 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -129.84 -57.31 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.1 tp -110.26 121.59 45.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -116.58 42.84 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.71 106.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.1 m -54.26 130.8 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -121.71 -41.52 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -120.13 164.53 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -93.17 175.72 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.45 70.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 179.56 3.64 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.236 . . . . 0.0 112.318 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 t -153.92 136.48 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.4 p -64.8 177.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.535 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -86.07 117.05 24.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 m -163.2 146.57 10.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.32 159.63 10.2 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -100.78 172.3 7.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -174.94 167.57 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.61 -66.9 0.56 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -4.21 13.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -100.32 119.78 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 6.4 mt-10 53.74 51.39 8.38 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.681 0.753 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 53.9 Cg_endo -69.81 169.41 19.04 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 13' ' ' VAL . 82.7 t -150.33 143.4 17.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' N ' HG13 ' A' ' 12' ' ' VAL . 2.5 p -86.46 146.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.449 ' N ' HG21 ' A' ' 13' ' ' VAL . 4.9 t-20 -173.11 179.01 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -104.19 -37.99 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CG ' HG11 ' A' ' 38' ' ' VAL . 5.0 tt0 -78.33 44.43 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.41 117.62 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -45.54 138.09 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 4.11 5.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.15 -29.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -112.34 -24.87 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 56.92 38.87 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -150.65 153.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.481 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.5 p-90 -116.86 -176.02 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.0 m -157.67 145.76 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -37.04 -60.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -48.35 173.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -74.28 125.74 29.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 38' ' ' VAL . 13.8 tp -79.64 145.97 32.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.63 ' CE2' ' CB ' ' A' ' 62' ' ' ALA . 2.9 m-85 -103.07 154.39 37.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.75 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.299 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.83 177.04 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -22.07 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.2 t -71.29 -51.04 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.183 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.9 m -54.11 110.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 31.6 p -33.02 -57.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -74.67 122.84 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.465 ' HB ' ' CD2' ' A' ' 29' ' ' LEU . 33.8 m -115.35 141.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -150.75 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -48.48 116.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -41.27 -36.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.59 -56.75 9.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -38.93 -36.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.87 -53.21 42.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -64.67 -33.26 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -68.57 -65.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.9 mmm -54.97 -46.55 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.79 62.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -115.4 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 pt -94.24 -19.74 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.2 129.22 54.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -136.96 -107.98 0.86 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -85.73 44.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -173.78 136.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.16 173.82 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -168.75 157.15 8.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -83.35 87.6 6.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.29 140.96 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 t -75.43 113.03 12.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -105.82 81.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.4 ttm -103.64 118.34 36.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.63 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . . . -90.12 45.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -129.95 -49.3 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.6 p -49.68 172.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -51.33 -45.9 62.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.7 t -82.41 44.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.52 164.34 1.66 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -89.94 116.22 27.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.67 0.271 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.2 p -98.1 109.41 22.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -54.55 165.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' CYS . 70.9 m-70 -33.72 -65.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 73' ' ' CYS . 34.7 m-85 -55.51 -59.03 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.478 ' C ' ' O ' ' A' ' 72' ' ' TYR . 57.0 m -30.45 140.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -40.9 157.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -92.48 138.14 31.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.2 pt -103.7 165.93 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -96.46 116.53 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.03 101.59 3.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.1 tp -111.01 106.93 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -94.25 141.02 29.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -167.25 109.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 83' ' ' GLU . 5.0 tt0 65.51 37.79 5.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' GLU . 41.9 tt0 -36.3 117.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 p -145.89 163.94 33.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.89 93.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 176.44 6.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 m -114.77 172.58 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 86.8 p -134.93 178.55 6.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -97.51 82.42 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -63.38 131.07 47.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.85 83.04 1.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -93.12 106.82 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m -90.66 39.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 9' ' ' ARG . . . 63.52 118.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.556 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 54.1 Cg_endo -69.67 8.08 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.36 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 10' ' ' GLU . 10.5 ttp-105 -73.54 91.74 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 9' ' ' ARG . 8.0 pt-20 31.83 54.97 0.96 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD3' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.74 115.42 4.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 11' ' ' PRO . 33.7 m -33.18 145.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.6 m -61.47 147.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.432 ' HB2' ' CE ' ' A' ' 17' ' ' MET . 16.6 p30 -109.42 107.51 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.16 7.57 46.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -115.84 79.74 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.432 ' CE ' ' HB2' ' A' ' 14' ' ' ASN . 6.3 mmt -105.88 116.0 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.82 145.82 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.27 0.48 19.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -128.29 -26.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.2 m -114.51 -20.85 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 51.96 40.86 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.9 p -144.08 165.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.1 p-90 -127.43 172.73 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 16.7 p -142.92 150.77 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.08 -41.19 62.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.5 173.26 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 p -64.45 122.37 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt -85.29 139.25 31.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 5.1 m-85 -96.85 152.47 38.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.76 -51.84 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.756 -1.768 . . . . 0.0 112.35 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -138.04 177.34 7.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HD2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -95.31 -32.77 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 99.6 t -54.53 -75.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' THR . 92.5 m -38.13 104.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' CYS . 72.4 p -33.33 -44.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -81.37 123.7 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.54 138.96 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CD1' ' HD3' ' A' ' 31' ' ' PRO . 2.6 p90 -150.98 136.49 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -70.53 141.12 51.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -61.11 -39.7 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.39 -50.78 57.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.469 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.406 ' O ' ' CE ' ' A' ' 47' ' ' MET . 6.2 m -44.31 -51.3 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 12.1 ptt180 -49.4 -27.3 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 1.5 tmt_? -60.55 -58.72 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.406 ' CE ' ' O ' ' A' ' 43' ' ' CYS . 3.5 mpp? -76.2 -43.2 43.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.87 51.5 0.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -95.68 -34.73 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -70.81 -72.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 50' ' ' ILE . 6.4 mt-30 32.5 47.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -146.93 -91.96 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.442 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.56 133.77 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 91.7 p -75.77 96.6 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.48 139.19 44.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.8 174.14 7.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.97 104.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.5 p -175.08 137.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.5 m -78.9 103.14 8.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.77 161.67 13.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -114.23 103.98 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.07 -52.14 10.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -38.49 -61.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.0 p -48.96 177.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' THR . 4.7 pt-20 -83.97 -175.6 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' GLU . 55.0 p 36.51 37.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.24 -130.14 4.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -112.56 98.9 7.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 p -86.36 150.01 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.9 m -38.38 147.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -42.64 -35.67 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' A' ' 72' ' ' TYR . 24.0 p90 -130.27 47.72 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.6 t -84.25 -50.41 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.95 -54.8 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -98.04 99.92 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.0 pt -94.12 133.75 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.57 121.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -134.77 139.66 45.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 80' ' ' LEU . 21.3 tp -132.92 161.67 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 81' ' ' THR . 2.2 mp -34.0 129.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 80' ' ' LEU . 60.5 p -32.79 113.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -89.67 -32.93 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -124.94 157.85 35.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.7 t -47.44 107.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.99 62.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.538 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.82 12.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.7 m -122.58 93.72 4.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -103.29 114.05 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.452 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 38.74 41.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -72.03 -44.93 62.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.51 45.6 0.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -157.6 132.67 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -93.02 102.19 14.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 130.93 5.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 0.21 5.97 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.85 115.48 28.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 10.0 mt-10 -61.91 -60.58 9.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.81 164.96 32.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.234 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.1 m -112.18 114.02 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.24 125.6 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -138.32 136.62 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.21 -56.25 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -124.19 90.14 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.0 mmm -116.97 150.51 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' HB2' ' NE2' ' A' ' 40' ' ' HIS . 43.1 t -69.05 149.8 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.43 2.59 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -130.0 -27.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 m -111.04 -26.37 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 55.23 45.12 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.37 147.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -118.43 164.75 14.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 2.9 m -135.44 146.88 48.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.94 -58.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -56.85 -178.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.66 138.48 56.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 30' ' ' PHE . 1.3 tt -97.88 140.66 31.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.5 m-85 -82.8 154.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.75 -50.76 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.389 -0.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.85 177.04 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' VAL . 14.5 ttm180 -95.06 -69.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' ARG . 7.2 p -33.9 -46.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 m -62.47 106.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.2 m -41.23 -64.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -55.35 108.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 m -109.41 130.82 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -150.24 126.33 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 41' ' ' ASP . 5.7 m170 -61.88 102.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' A' ' 40' ' ' HIS . 13.6 p-10 -31.76 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -59.51 -60.05 9.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.68 -37.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.8 mt -57.99 -52.27 66.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -72.87 -32.31 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -65.02 -57.22 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.6 tpp -67.91 -53.43 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.89 67.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -122.54 -41.14 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt -74.88 -67.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' GLY . 12.7 tt0 -172.89 150.2 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' GLN . . . -33.47 99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.559 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -81.56 40.57 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 m -108.53 -40.95 4.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.66 5.1 10.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.73 133.37 55.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -118.22 101.04 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.9 t -110.25 139.08 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.7 m -120.76 115.72 23.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -99.21 106.78 18.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.809 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.2 mtp -96.03 81.72 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.68 -42.22 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.062 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' THR . 10.8 t-80 -46.4 -60.55 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' HIS . 26.4 p -33.96 124.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' THR . 17.3 mt-10 -38.93 144.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 65' ' ' GLU . 69.2 p 34.27 38.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.66 -124.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -106.43 133.02 51.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.769 0.319 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -86.25 141.29 29.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 p -57.33 170.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -77.04 -45.62 26.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -83.13 48.74 1.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.73 178.23 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -112.39 -40.5 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -82.84 38.09 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.9 mt -79.31 112.72 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -127.66 -49.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 tp -128.0 124.81 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 80' ' ' LEU . 10.9 tp -124.81 80.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' LEU . 25.6 tp 36.22 42.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.971 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.4 m -148.11 145.83 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' HG2' ' CD ' ' A' ' 83' ' ' GLU . 1.5 pm0 -123.71 -31.67 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' CD ' ' HG2' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -84.67 137.98 32.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 m -56.25 135.06 53.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.06 79.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.716 2.277 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 m -74.9 60.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 t -149.29 123.63 9.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.519 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -129.43 111.24 12.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -113.45 121.17 43.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.22 55.29 0.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -123.8 40.57 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.792 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -122.98 113.11 18.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.87 88.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 0.65 5.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.729 2.286 . . . . 0.0 112.288 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -108.49 81.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -143.38 124.91 8.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -177.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -145.67 137.5 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.69 142.37 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.51 133.37 22.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.3 -55.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' OE1' ' NE ' ' A' ' 33' ' ' ARG . 48.8 mt-10 -131.36 102.21 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.408 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 8.7 mmt -107.63 123.09 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -45.73 147.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -79.96 -0.67 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.51 -21.75 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 m -121.9 -23.04 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HB3' ' A' ' 17' ' ' MET . 38.9 mt-10 59.0 37.17 24.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.0 t -138.84 153.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.59 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.0 p-90 -118.74 -178.1 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.59 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 10.1 p -153.56 146.62 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.54 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.71 -41.91 64.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -70.32 175.98 4.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 p -59.5 129.87 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 3.8 tt -98.81 128.53 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 2.1 m-85 -82.34 153.11 68.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.76 -51.41 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.364 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.1 p -135.35 -174.82 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 7.6 tpp85 -107.0 -55.06 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' ARG . 15.5 m -35.55 -40.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 89.9 m -78.85 109.74 13.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 m -41.53 -45.29 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -71.43 106.67 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 16' ' ' GLU . 27.6 m -105.39 135.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 0.7 OUTLIER -151.39 122.76 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.09 141.41 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.65 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.9 -21.6 31.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -79.0 -38.33 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' A' ' 39' ' ' PHE . 6.1 mt -68.44 -43.98 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.94 -35.48 80.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -55.48 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 19.7 mmm -66.82 -39.49 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.33 58.42 0.58 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.85 -21.63 12.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 51' ' ' GLN . 1.1 pp -129.9 -34.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -177.36 137.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' OE1' ' A' ' 51' ' ' GLN . . . -58.09 -176.24 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -86.08 46.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -134.95 93.64 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -175.12 122.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.57 5.71 10.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -116.39 44.19 2.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.8 m -104.02 138.51 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.8 m -144.56 105.76 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -165.29 166.26 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.6 mtm -126.57 113.42 16.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.48 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -98.47 -60.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -38.11 -54.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.0 p -43.36 147.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -54.75 144.68 21.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.9 p 38.39 40.01 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.13 -101.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.473 ' CE2' ' O ' ' A' ' 69' ' ' SER . 32.8 t-105 -102.13 145.29 29.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.473 ' O ' ' CE2' ' A' ' 68' ' ' TRP . 39.7 m -87.71 137.91 31.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.2 167.36 12.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -67.77 -39.87 84.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -87.28 37.71 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.59 175.69 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.24 101.03 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -143.57 158.36 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.1 mp -61.99 93.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.52 94.32 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -44.7 138.56 3.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 162.44 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tt -139.48 142.63 37.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.2 m -67.96 102.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -168.69 127.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -133.32 79.84 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.2 m -142.9 109.9 5.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.09 106.53 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 110.04 2.47 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 m 46.02 40.84 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 t -87.38 122.92 31.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -98.37 141.07 31.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 p -46.59 141.85 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.5 -175.5 16.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -126.59 91.91 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -146.8 131.36 17.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.88 -156.27 23.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.76 7.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.743 2.295 . . . . 0.0 112.321 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -106.42 126.88 52.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -102.89 118.48 58.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 114.36 3.69 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 0.0 112.398 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.12 44.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG23 ' CD2' ' A' ' 24' ' ' TRP . 23.9 m -143.47 120.27 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -133.44 -45.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.5 -36.36 65.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' CA ' HG22 ' A' ' 38' ' ' VAL . 7.4 pt-20 -83.97 96.15 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.5 mtp -139.97 139.36 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -52.17 135.07 32.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -75.53 4.05 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.3 -27.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.6 m -114.74 -22.95 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' C ' HG12 ' A' ' 23' ' ' VAL . 33.7 mt-10 53.97 35.9 23.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.414 HG12 ' C ' ' A' ' 22' ' ' GLU . 33.4 m -141.58 170.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 8.4 p-90 -128.55 171.57 11.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 22.6 p -142.65 146.96 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -43.03 -37.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.4 176.96 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 p -68.11 136.4 53.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.21 106.08 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.3 m-85 -82.58 151.57 65.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.564 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.84 -171.53 6.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.35 0.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' PRO . 1.8 p -45.24 173.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' VAL . 22.2 ttp180 -74.52 -52.85 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ARG . 66.0 t -28.08 -42.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ARG . 1.3 p -86.22 90.15 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' CYS . 9.6 t -33.09 -42.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 36' ' ' THR . 20.1 ptt-85 -64.06 112.59 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.451 HG22 ' CA ' ' A' ' 16' ' ' GLU . 34.6 m -112.44 126.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HD3' ' A' ' 31' ' ' PRO . 2.2 p90 -150.01 127.5 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 42' ' ' GLY . 29.7 m170 -54.51 101.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 31.5 t0 -33.61 -34.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -70.72 -55.48 8.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.528 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.7 m -40.93 -39.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.487 HD13 ' CD1' ' A' ' 39' ' ' PHE . 38.0 mt -57.91 -45.39 86.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 5.8 ptm180 -78.31 -30.57 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -69.12 -41.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.5 tpp -94.76 -41.68 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.24 85.82 1.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -129.39 -41.06 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -29.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -158.75 -175.59 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.96 43.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.62 121.15 15.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -88.78 48.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.73 5.14 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.96 158.03 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.65 40.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.8 t -51.87 107.78 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.4 t -75.36 171.28 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -88.99 112.05 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.3 mmt -116.0 39.88 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.87 -49.78 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -95.83 53.03 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.0 p -136.97 177.27 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -38.94 -65.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 73.3 m -86.32 93.14 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.14 150.49 42.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -110.28 140.71 44.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.3 p -78.66 147.35 33.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.37 152.97 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -44.4 -52.02 8.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -80.44 -50.96 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.44 132.71 54.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 75' ' ' ASN . 24.7 t0 -168.85 121.52 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' ASP . 42.2 t30 -34.05 -51.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.3 pt -105.57 172.55 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -88.99 96.51 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 79' ' ' LEU . 13.0 tp -79.12 155.73 28.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 79' ' ' LEU . 1.8 pt? -137.73 168.01 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 tp -150.47 139.26 20.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.2 t -101.32 142.4 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -123.93 84.61 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -126.69 84.5 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.2 p -145.96 173.63 11.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.15 93.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 110.28 2.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.0 t -53.83 121.51 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t -58.5 177.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.472 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -165.85 131.42 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -155.36 167.86 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.55 -164.04 19.28 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -104.18 169.28 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -40.89 115.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.33 89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.12 2.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.616 2.211 . . . . 0.0 112.394 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -106.87 85.29 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -167.03 119.49 0.77 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.661 0.743 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.763 2.309 . . . . 0.0 112.253 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.5 134.39 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.6 t -97.3 116.46 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -173.51 149.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -86.93 -51.87 5.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -62.04 109.01 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 mmt -143.3 109.5 5.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 22' ' ' GLU . 42.5 t -48.72 137.14 12.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.06 2.77 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.32 -27.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 m -120.58 -19.29 7.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.3 mt-10 50.86 45.62 27.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -138.02 155.0 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.2 p-90 -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 p -156.18 142.67 18.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.515 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -51.77 -34.72 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.65 175.41 7.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -63.74 125.08 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 tt -100.04 129.09 46.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -91.14 154.09 44.85 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.87 -51.16 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.317 0.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 p -163.04 149.65 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' H ' ' NE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -87.62 21.85 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.1 t -113.36 -19.72 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 m -86.51 30.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 m 39.93 34.94 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -172.96 141.47 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.1 m -136.83 130.75 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.475 ' CD1' ' HD3' ' A' ' 31' ' ' PRO . 1.3 p90 -150.87 116.28 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -46.7 109.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -39.98 -39.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.34 99.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 m -58.56 -45.37 89.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.5 -56.99 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.45 -24.67 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -67.78 -61.85 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.462 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 68.4 mtm -60.01 -41.04 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.12 51.74 0.81 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.462 ' CE2' ' HE2' ' A' ' 47' ' ' MET . 25.3 m-85 -103.4 -42.26 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 pt -90.35 62.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -175.84 155.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.88 52.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -168.66 167.26 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.5 p -47.16 119.58 2.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.32 116.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 57' ' ' GLU . . . -168.87 162.31 11.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 56' ' ' ALA . 9.0 mp0 31.73 42.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.3 m -82.96 123.56 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.2 t -87.82 149.19 24.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -130.66 -33.86 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.9 mtp -123.16 98.9 6.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.3 -56.13 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -57.61 91.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.6 p -147.01 176.08 10.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.3 -53.36 59.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 t -87.94 -17.58 30.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.0 -163.43 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.409 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -129.67 138.33 51.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 m -80.48 143.49 33.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.3 m -71.49 146.25 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -43.63 -35.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 72' ' ' TYR . 28.0 p90 -126.44 44.99 2.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.96 131.71 34.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.15 118.73 31.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -170.27 178.55 3.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.9 pt -89.6 178.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -104.8 115.86 31.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.1 tp -86.78 -42.23 13.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 pp -123.93 169.65 11.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 81' ' ' THR . 0.3 OUTLIER -129.26 122.24 29.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.471 ' N ' HD12 ' A' ' 80' ' ' LEU . 15.2 t -158.82 130.7 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -134.1 97.21 3.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -116.99 71.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.2 m -91.75 87.27 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.91 65.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.01 38.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 t -157.94 144.83 17.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 m -163.53 132.24 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.475 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m 59.35 43.17 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 m -46.03 -52.52 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 142.85 -48.6 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.441 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.9 t -36.24 113.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -163.74 130.23 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.96 -65.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.79 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.763 2.308 . . . . 0.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.8 ttp85 -62.37 124.25 20.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -138.69 121.52 10.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 116.28 4.48 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.266 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.64 142.0 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -104.85 141.81 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.422 ' ND2' ' HE3' ' A' ' 17' ' ' MET . 64.7 m-80 -128.3 148.21 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -92.69 -56.19 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.64 99.53 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.422 ' HE3' ' ND2' ' A' ' 14' ' ' ASN . 11.4 mmm -134.15 122.51 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' GLU . 47.3 t -43.47 132.75 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.03 -1.1 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.45 -32.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -110.14 -29.63 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' CYS . 51.0 mt-10 61.17 45.42 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.43 129.51 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.416 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.5 p-90 -97.12 173.48 7.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 p -149.34 145.99 27.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.42 -39.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 173.79 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 t -61.29 134.9 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 tt -99.0 127.49 44.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.0 m-85 -83.53 153.67 65.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.789 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.85 -51.43 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.355 0.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.1 -177.1 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -105.68 -34.42 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.437 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 22.4 m -59.62 -40.8 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 3.4 p -79.95 100.22 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 55.1 m -33.39 -56.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -57.98 103.78 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.1 m -104.24 132.81 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.478 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 0.8 OUTLIER -150.82 120.57 7.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -59.31 122.06 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -40.85 -51.61 3.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ARG . . . -56.4 -57.59 18.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -38.17 -32.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 HD22 ' CB ' ' A' ' 49' ' ' TYR . 14.5 mt -63.74 -48.26 77.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' CZ ' ' O ' ' A' ' 58' ' ' VAL . 8.8 ptt85 -78.23 -33.9 49.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.36 -39.81 94.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.2 tpp -93.58 -58.22 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.48 73.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' CB ' HD22 ' A' ' 44' ' ' LEU . 18.9 m-85 -119.23 -40.97 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 51' ' ' GLN . 45.7 pt -112.9 -38.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.463 ' N ' HG13 ' A' ' 50' ' ' ILE . 4.0 tp60 -159.57 119.34 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.47 78.77 1.95 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -127.52 83.98 2.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 m -79.91 162.81 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 67.22 24.9 9.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.12 130.57 55.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.33 85.24 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.463 ' O ' ' CZ ' ' A' ' 45' ' ' ARG . 89.8 t -145.39 130.76 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.9 m -114.67 -44.36 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 65.33 36.69 6.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 97.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.08 147.52 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.465 ' HB3' ' C ' ' A' ' 66' ' ' THR . 1.8 t60 -47.76 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 63' ' ' HIS . 22.3 p -32.81 -43.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -73.38 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.465 ' C ' ' HB3' ' A' ' 63' ' ' HIS . 63.8 p -143.95 111.26 5.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.94 -90.88 0.11 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -71.61 141.4 49.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.1 m -103.47 113.03 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.498 ' SG ' ' CG ' ' A' ' 31' ' ' PRO . 16.4 m -57.64 165.5 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -47.41 -44.83 24.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 2.4 p90 -111.82 40.29 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.472 ' HB2' ' N ' ' A' ' 70' ' ' CYS . 2.5 m -127.2 39.62 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -111.71 127.88 55.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -121.16 -45.32 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.2 pt -46.98 132.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -109.03 91.81 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 tp -126.83 139.19 53.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt -81.31 48.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 81' ' ' THR . 15.9 mt -40.42 143.84 0.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' LEU . 76.0 p -34.31 121.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -126.21 124.04 39.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -121.93 40.44 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.4 t -163.32 107.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.45 104.37 0.57 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 3.12 2.93 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.622 2.215 . . . . 0.0 112.399 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.1 m -96.0 128.7 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLY . 40.7 t -78.71 -48.39 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.386 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -114.07 115.1 27.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -166.17 138.89 3.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.51 -87.24 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -54.22 139.98 34.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -82.7 47.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.21 112.33 0.23 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -1.72 8.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.289 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -111.12 126.6 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.581 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 19.3 mt-10 -51.61 -55.1 32.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.652 0.739 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.4 Cg_endo -69.77 153.98 68.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.2 m -77.05 159.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' ASN . 33.6 m -146.54 154.08 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' HB2' ' CE ' ' A' ' 17' ' ' MET . 7.2 p-10 36.67 47.77 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.17 -3.25 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' ' CE ' ' A' ' 17' ' ' MET . 4.4 pt-20 -137.87 119.55 15.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 16' ' ' GLU . 8.1 mmt -139.58 116.8 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' GLU . 49.8 t -43.46 144.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.815 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -76.41 -2.98 34.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.63 -22.39 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 20.4 m -124.85 -15.89 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 13.7 pt-20 44.21 48.55 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.35 151.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.428 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 6.1 p-90 -118.83 -177.43 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.8 p -157.36 143.37 17.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.3 -37.47 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.69 177.04 7.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.71 137.7 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 30' ' ' PHE . 1.6 tt -111.01 131.4 55.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -82.64 153.27 67.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.787 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.561 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 54.3 Cg_endo -69.68 -51.96 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.396 -0.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.9 p -136.68 177.27 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -25.36 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.67 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.6 m -40.77 150.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -84.11 35.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -155.75 126.24 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 16' ' ' GLU . 16.0 m -119.85 129.66 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.9 p90 -151.04 133.58 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 3.7 m170 -72.33 124.38 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -45.61 -56.47 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.28 -44.24 14.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.9 m -61.36 -33.25 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.0 -52.14 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.69 -29.75 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -61.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.65 -54.51 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.81 50.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -104.94 -36.25 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 51' ' ' GLN . 1.8 mt -89.49 -70.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' ILE . 15.2 tt0 35.16 42.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.7 87.86 1.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -44.1 -43.7 7.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.1 m -90.45 140.96 29.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.16 136.81 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 175.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -95.53 41.41 1.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' THR . 22.7 m -82.41 -24.62 8.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 58' ' ' VAL . 18.7 m 34.36 44.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -127.59 170.22 12.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.533 ' HA ' ' CE3' ' A' ' 68' ' ' TRP . 25.8 ptm -172.1 156.65 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.46 164.24 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 70.87 38.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.6 p -134.18 -179.44 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -63.79 -51.58 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.5 t -75.51 -26.02 57.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.65 -167.06 44.01 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.533 ' CE3' ' HA ' ' A' ' 61' ' ' MET . 63.1 t-105 -107.79 137.73 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.1 t -115.84 108.34 16.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . 0.8 OUTLIER -53.68 177.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -72.71 -38.9 67.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -93.65 32.06 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.67 34.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 59.08 47.47 11.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -145.4 177.29 8.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 pp -110.01 171.83 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -112.49 -62.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.9 tp -92.6 131.23 37.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tt -118.55 79.64 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -131.06 162.1 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.43 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 60.8 p -85.42 -36.26 20.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 81' ' ' THR . 18.7 mp0 -159.61 134.1 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -128.48 -59.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.6 m -124.46 71.02 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.84 111.26 0.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -6.85 19.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.1 p -63.29 145.98 54.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.7 p -167.71 132.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.469 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p 45.08 42.28 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -74.73 159.41 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.2 143.5 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -56.48 132.98 52.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -119.4 84.88 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.65 87.82 0.49 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.14 2.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.234 . . . . 0.0 112.373 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -61.18 139.35 58.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -60.86 119.72 47.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 142.71 48.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 14' ' ' ASN . 54.1 t -144.02 142.95 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.487 ' C ' ' O ' ' A' ' 12' ' ' VAL . 5.6 p 29.76 38.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 12' ' ' VAL . 84.0 m-20 -90.42 133.51 34.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -116.88 -62.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -59.96 102.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mmt -132.89 133.92 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 t -50.66 153.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -87.77 -9.19 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.21 -13.96 10.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 m -125.51 -31.41 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 62.32 43.36 8.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.3 p -140.15 168.53 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.58 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.3 p-90 -132.82 171.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.58 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.8 p -143.71 149.5 37.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.4 -39.72 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.13 171.32 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -58.77 141.37 53.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD23 ' CG2' ' A' ' 38' ' ' VAL . 22.4 tp -111.35 119.79 40.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.8 m-85 -85.81 152.02 56.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.3 Cg_endo -69.79 -175.03 10.27 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.35 0.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' PRO . 4.8 p -32.25 146.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -58.2 -35.86 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.476 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 85.2 t -54.63 -32.13 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.6 m -71.2 92.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.1 p -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -78.6 121.14 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.48 ' CG2' HD23 ' A' ' 29' ' ' LEU . 18.5 m -109.94 130.37 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -151.2 134.06 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -67.31 133.77 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -36.61 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.52 -46.27 70.92 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.28 -31.52 9.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.26 -64.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -50.01 -37.39 32.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -59.06 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 72.7 mtp -57.92 -47.25 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.4 59.64 0.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -104.34 -46.63 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 51' ' ' GLN . 1.7 mp -55.5 -66.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.444 ' N ' HG21 ' A' ' 50' ' ' ILE . 5.4 pt20 -133.23 -38.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.48 -78.97 0.26 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.392 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.22 146.8 54.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 m -48.58 176.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.78 162.36 38.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.58 -179.71 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -88.08 48.22 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.77 -72.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -135.01 19.24 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -92.65 80.89 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 77.0 mtm -155.42 126.82 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.41 -62.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -70.76 91.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 p -126.73 -58.75 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -126.53 -60.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.5 p -118.18 -47.63 2.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.83 146.89 4.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -100.65 149.17 24.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 m -78.8 116.36 19.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.9 m -48.85 177.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.61 -47.79 84.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -108.05 42.09 1.43 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.5 m -135.0 46.39 2.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -170.22 170.5 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -106.74 -53.13 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.5 mt -85.14 96.31 4.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -89.27 112.08 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.5 tp -85.78 163.98 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 pp -116.87 137.49 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.47 171.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.8 p -75.38 170.07 16.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.49 105.72 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -165.05 137.05 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -71.43 -51.47 23.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.99 69.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 155.14 66.7 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 p -149.68 123.08 9.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -72.59 158.6 35.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.776 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.058 -0.857 . . . . 0.0 112.533 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.938 0.399 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.7 mtt -113.86 119.82 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' MET . 25.1 t -34.49 140.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.17 -3.92 55.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 20' ' ' VAL . 56.0 t -118.8 -15.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB3' HG22 ' A' ' 23' ' ' VAL . 69.7 m -126.43 -26.44 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 57.83 38.06 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 21' ' ' CYS . 26.8 m -140.9 148.75 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.4 p-90 -118.89 -175.8 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.503 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.8 m -157.73 147.93 20.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -39.72 -60.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.93 176.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -67.76 138.82 56.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.479 HD12 ' H ' ' A' ' 30' ' ' PHE . 23.7 tp -94.38 144.08 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.3 m-85 -91.22 153.92 44.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.77 -48.84 0.25 Allowed 'Cis proline' 0 C--O 1.233 0.226 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.288 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 m -119.19 176.14 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -94.85 -52.45 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 36' ' ' THR . 94.1 t -61.32 -52.09 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' THR . 33.0 m -46.19 94.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' CYS . 59.2 m -33.1 -57.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -63.24 103.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.32 134.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -151.04 125.27 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -61.46 128.94 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -49.11 -39.53 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.98 82.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.7 -27.47 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD11 ' A' ' 50' ' ' ILE . 20.7 mt -79.44 -59.46 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -55.26 -42.11 73.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.1 mmm -40.95 -55.21 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.86 46.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -105.93 -38.34 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.485 HD11 ' HB2' ' A' ' 44' ' ' LEU . 1.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.185 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.426 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 15.9 mtp -141.99 141.83 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -40.33 133.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -76.94 5.21 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -125.35 -20.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.89 -28.79 4.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 17' ' ' MET . 59.8 mt-10 64.56 44.6 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.99 129.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.417 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.4 p-90 -104.0 170.9 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.9 m -149.38 145.78 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -32.59 -53.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -144.15 176.3 9.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t 74.63 28.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.532 HD21 HG21 ' A' ' 38' ' ' VAL . 9.2 tp -101.49 89.93 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.536 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 8.7 m-85 -86.0 154.48 57.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 -52.01 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.367 -0.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.44 156.68 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -21.25 27.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.61 -20.39 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.1 m -91.74 32.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 36' ' ' THR . 17.0 m 34.01 36.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' CYS . 16.6 tpp180 -175.26 136.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 29' ' ' LEU . 11.6 m -137.61 139.96 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.7 ' HD1' HD11 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -150.37 111.52 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -39.3 114.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.02 -35.88 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.66 80.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.01 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.7 HD11 ' HD1' ' A' ' 39' ' ' PHE . 18.3 mt -68.6 -58.63 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HA ' HD12 ' A' ' 50' ' ' ILE . 19.7 ptt180 -53.15 -39.0 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -63.51 -55.23 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 26.5 mtp -68.46 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 48.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ILE . 18.3 m-85 -92.16 -50.59 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' TYR . 26.8 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.164 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.838 0.352 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.428 ' N ' HG22 ' A' ' 38' ' ' VAL . 3.2 mmt -143.69 124.32 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' GLU . 32.9 t -50.04 141.71 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.33 -6.7 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.02 -28.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 m -113.44 -27.08 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.1 mm-40 53.19 46.94 25.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.89 137.18 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.6 p-90 -110.1 171.19 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.427 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 19.1 p -143.94 143.25 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.28 -38.13 5.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -68.77 172.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -69.42 118.93 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.704 HD22 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -79.79 151.56 30.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.2 m-85 -102.24 153.07 38.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.72 -29.39 5.72 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.399 -0.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' HB2' HG12 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -165.84 146.22 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.35 -35.17 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 35' ' ' CYS . 12.4 p -32.18 -45.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.532 ' N ' HG13 ' A' ' 34' ' ' VAL . 2.4 p -81.39 120.9 25.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 47.6 m -34.43 -58.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -72.3 142.25 48.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HD22 ' A' ' 29' ' ' LEU . 34.3 m -128.99 141.25 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' A' ' 44' ' ' LEU . 2.1 p90 -150.89 117.78 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.4 ' ND1' HD21 ' A' ' 29' ' ' LEU . 3.2 m-70 -59.76 106.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -38.88 -36.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -64.6 -46.53 89.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.6 m -54.19 -45.78 72.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.415 HD11 ' CD1' ' A' ' 39' ' ' PHE . 27.7 mt -64.26 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 8.3 ptm180 -50.55 -36.18 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -61.67 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 25.5 mtp -57.19 -49.72 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.58 37.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.446 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -89.51 -41.08 12.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.2 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB2' HG11 ' A' ' 38' ' ' VAL . 5.1 pt-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 16.3 mmm -127.49 129.62 47.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.1 t -48.4 139.34 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -77.25 1.59 18.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.65 -23.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HG13 ' A' ' 23' ' ' VAL . 43.8 m -120.17 -21.22 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 52.43 44.71 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 21' ' ' CYS . 28.9 m -139.68 155.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.2 p-90 -123.12 172.98 8.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.4 p -145.82 148.83 33.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.77 -38.8 64.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.68 177.92 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -68.6 140.01 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.643 HD11 ' CD2' ' A' ' 40' ' ' HIS . 21.9 tp -108.05 158.68 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.9 m-85 -115.53 155.56 47.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.85 -51.47 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' O ' HG12 ' A' ' 38' ' ' VAL . 1.5 p -127.1 170.7 12.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -23.4 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.34 -40.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 m -59.94 149.99 30.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 p -81.95 37.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -173.7 111.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HB ' HD23 ' A' ' 29' ' ' LEU . 35.8 m -106.6 141.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -150.9 113.55 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.643 ' CD2' HD11 ' A' ' 29' ' ' LEU . 25.8 m170 -48.69 148.42 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -77.69 -36.01 51.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 -10.55 81.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.3 -49.32 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD11 ' HD2' ' A' ' 39' ' ' PHE . 41.6 mt -54.68 -38.74 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 7.4 ptp180 -68.81 -37.18 79.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.5 tmt_? -78.03 -68.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.6 tmm? -35.62 -56.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.59 60.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -123.27 -70.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.948 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HB3' HG11 ' A' ' 38' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.88 0.372 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.5 mmt -116.21 116.8 28.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 41.6 t -47.3 142.52 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.98 -3.16 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 43' ' ' CYS . 80.2 t -123.6 -30.63 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.487 ' O ' HG13 ' A' ' 23' ' ' VAL . 25.6 m -111.2 -21.96 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' CYS . 45.6 mt-10 52.22 43.23 30.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 21' ' ' CYS . 27.4 m -140.68 165.25 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 8.3 p-90 -130.02 173.11 11.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.444 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 9.5 p -142.01 148.04 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.7 -41.19 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -73.96 174.08 9.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 m -58.98 127.25 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.701 HD22 ' HB ' ' A' ' 38' ' ' VAL . 2.3 tt -95.82 144.39 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.666 ' N ' HD23 ' A' ' 29' ' ' LEU . 5.7 m-85 -90.54 153.09 45.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.55 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.75 -47.04 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.411 -0.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.87 -177.16 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HD3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -116.64 -24.12 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.468 HG23 ' HD3' ' A' ' 33' ' ' ARG . 88.2 t -69.83 -48.92 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' THR . 97.2 m -66.91 112.08 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.425 ' O ' HG13 ' A' ' 38' ' ' VAL . 36.6 p -37.63 -59.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -59.6 121.35 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.708 HG11 ' HB3' ' A' ' 16' ' ' GLU . 19.9 m -118.12 139.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -149.89 112.4 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -54.06 111.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.75 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -41.13 -31.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.81 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.3 -58.0 7.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.424 ' HB3' HG21 ' A' ' 20' ' ' VAL . 58.2 m -43.95 -40.11 4.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 41' ' ' ASP . 10.0 mt -60.98 -58.62 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.1 -26.28 62.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.68 -61.14 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.407 ' CE ' ' CE2' ' A' ' 49' ' ' TYR . 30.1 mtm -79.07 -55.06 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.63 53.01 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.407 ' CE2' ' CE ' ' A' ' 47' ' ' MET . 14.0 m-85 -93.48 -44.48 8.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.929 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 50' ' ' ILE . 2.5 pp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.36 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.486 ' C ' HG23 ' A' ' 38' ' ' VAL . 17.3 mtp -133.56 146.31 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.86 150.24 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.17 0.8 50.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -127.36 -27.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' O ' HG13 ' A' ' 23' ' ' VAL . 46.1 m -110.97 -23.82 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' C ' ' HB3' ' A' ' 17' ' ' MET . 28.7 mt-10 56.15 41.54 29.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 21' ' ' CYS . 33.1 m -136.67 147.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.5 p-90 -120.23 176.59 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.555 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 15.1 p -150.38 151.62 33.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -57.13 -37.29 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -74.12 177.49 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -66.3 125.36 25.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.799 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.4 tt -92.56 140.1 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.3 m-85 -82.8 152.33 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.568 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.79 -50.43 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.271 0.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -140.92 -176.42 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 3.2 ptm180 -104.06 -33.87 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.459 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 97.2 t -45.45 -69.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.9 m -39.35 157.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.5 p -90.9 44.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -174.88 160.59 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.561 ' HB ' HD22 ' A' ' 29' ' ' LEU . 16.5 m -135.21 132.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CD1' HD11 ' A' ' 44' ' ' LEU . 2.6 p90 -151.39 122.87 7.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CD2' HD21 ' A' ' 29' ' ' LEU . 12.5 m170 -71.67 122.63 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -46.38 -46.62 18.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.9 -25.48 59.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.365 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 m -80.27 -33.75 37.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.616 HD11 ' CD1' ' A' ' 39' ' ' PHE . 80.3 mt -77.9 -43.66 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -58.39 -30.85 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -66.26 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.9 mmm -61.36 -54.19 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.04 48.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -94.0 -37.92 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.099 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.863 0.363 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -132.39 118.99 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' HA ' HG23 ' A' ' 38' ' ' VAL . 36.5 t -51.44 144.09 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 37' ' ' ARG . 72.0 m-20 -77.26 -4.64 45.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.13 -26.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m -115.59 -26.65 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.2 mm-40 51.4 48.6 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.49 135.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -99.68 167.72 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.496 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.7 p -139.56 148.28 42.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -47.88 -38.96 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.45 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -78.16 130.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.713 HD23 ' HB ' ' A' ' 38' ' ' VAL . 6.3 tp -83.54 161.21 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.0 m-85 -119.37 153.82 53.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 52.6 Cg_endo -69.8 -38.47 1.62 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.236 0.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.64 ' HB2' HG22 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -157.74 140.3 14.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.2 ppt_? -77.77 -30.98 51.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG22 ' HB2' ' A' ' 32' ' ' CYS . 33.3 m -35.62 -39.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.9 p -86.82 122.81 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 87.7 m -35.87 -62.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.496 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 33.2 ttt-85 -72.85 119.99 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.713 ' HB ' HD23 ' A' ' 29' ' ' LEU . 33.7 m -110.34 145.16 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.556 ' HD1' HD11 ' A' ' 44' ' ' LEU . 1.8 p90 -150.63 111.28 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.697 ' NE2' HD11 ' A' ' 29' ' ' LEU . 46.1 m170 -50.56 138.32 17.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.03 -35.11 79.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -71.08 -34.45 64.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.14 -50.21 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.556 HD11 ' HD1' ' A' ' 39' ' ' PHE . 16.0 mt -55.33 -57.61 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 23.3 ptt180 -52.75 -35.24 55.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 6.7 tmm_? -71.72 -70.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.1 mmm -47.83 -38.67 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.5 69.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -122.57 -46.74 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' HG21 ' A' ' 38' ' ' VAL . 19.3 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mmm -107.81 126.96 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.8 t -41.24 149.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.0 -0.73 56.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.534 HG21 ' CE ' ' A' ' 47' ' ' MET . 91.8 t -125.54 -16.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 59.2 m -123.36 -29.38 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.36 42.42 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 m -146.96 142.35 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.4 p-90 -113.35 176.92 4.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.551 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.3 p -149.08 149.72 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.131 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -49.78 -40.34 41.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.49 175.58 4.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m -66.1 133.8 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.468 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.6 tt -99.08 132.55 44.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.6 m-85 -83.52 151.99 63.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.74 -50.7 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.327 -0.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.24 -178.01 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -113.18 -26.47 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.09 -34.72 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 36' ' ' THR . 98.9 m -87.49 106.09 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.7 m -32.01 -45.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -67.46 101.22 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HB ' HD22 ' A' ' 29' ' ' LEU . 28.2 m -106.07 129.16 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -151.34 123.88 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -49.96 152.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.53 -37.93 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -68.93 -50.27 36.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.8 m -40.28 -42.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 50' ' ' ILE . 21.7 mt -60.3 -64.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 43.1 ptt85 -53.31 -35.84 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -54.08 -49.05 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.534 ' CE ' HG21 ' A' ' 20' ' ' VAL . 55.6 mtm -84.34 -54.99 4.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.45 58.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -110.98 -38.98 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.484 HD11 ' HB2' ' A' ' 44' ' ' LEU . 15.8 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.526 ' C ' HG21 ' A' ' 38' ' ' VAL . 9.2 tt0 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.89 0.376 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 mtp -108.4 133.51 52.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 41.7 t -50.54 143.13 9.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.94 0.1 36.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.72 -21.05 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -121.22 -27.46 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 62.02 46.87 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -148.05 141.45 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.7 p-90 -112.31 179.98 3.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.552 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 m -155.58 150.3 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -42.53 -60.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.47 169.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -66.46 125.55 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 30' ' ' PHE . 1.6 tt -80.9 133.23 35.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 7.8 m-85 -84.18 151.86 60.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.79 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.398 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -130.54 -179.69 5.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -116.5 -23.45 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.31 -59.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.1 m -41.57 145.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -78.19 45.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -174.46 113.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.526 HG21 ' C ' ' A' ' 16' ' ' GLU . 29.5 m -108.2 129.96 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 39' ' ' PHE . 1.1 p90 -151.18 127.57 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -53.29 159.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -83.68 -26.85 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.27 -24.37 54.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.442 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.25 -33.21 75.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.79 -51.85 13.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -61.07 -40.63 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 7.0 tmm_? -59.29 -59.07 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 46.9 mtp -63.14 -52.74 61.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.41 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -91.46 -43.07 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 pt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.875 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' C ' HG21 ' A' ' 38' ' ' VAL . 75.7 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.765 0.317 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.416 ' HB2' ' N ' ' A' ' 23' ' ' VAL . 5.8 ptp -134.72 143.22 47.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.0 t -41.09 134.81 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.25 3.33 18.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.68 -20.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -119.94 -24.9 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 62.79 44.24 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.416 ' N ' ' HB2' ' A' ' 17' ' ' MET . 5.4 m -137.85 135.16 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.0 p-90 -113.81 -179.91 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.543 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.0 p -152.22 150.69 30.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -55.24 -39.42 69.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.92 175.37 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -66.44 121.29 14.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.6 tt -83.56 141.19 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' N ' HD23 ' A' ' 29' ' ' LEU . 4.3 m-85 -84.98 153.73 60.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.76 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.28 0.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.61 166.73 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -99.55 -30.23 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.47 -51.93 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.8 m -58.82 110.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -44.2 -26.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -91.85 107.22 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.727 ' HB ' HD22 ' A' ' 29' ' ' LEU . 34.9 m -109.5 132.84 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.813 ' CD1' HD11 ' A' ' 44' ' ' LEU . 1.6 p90 -150.0 130.7 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 33.5 m170 -59.09 106.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -35.72 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -69.96 -54.71 10.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.8 m -46.27 -33.8 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.813 HD11 ' CD1' ' A' ' 39' ' ' PHE . 20.4 mt -69.07 -59.95 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 4.2 ptm180 -56.03 -36.32 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.99 -61.15 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.9 mmm -50.13 -60.04 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.46 55.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' ILE . 73.9 m-85 -112.94 -70.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.932 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' TYR . 2.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.9 mmt -144.11 123.93 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 45.2 t -58.19 145.94 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.97 -1.03 30.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 43' ' ' CYS . 21.9 t -126.4 -25.51 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 27.4 m -116.63 -21.47 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 7.9 pt-20 43.89 42.28 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.19 147.84 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.0 p-90 -116.83 -176.33 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.558 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.3 m -159.57 148.5 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.53 -54.88 2.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.1 176.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -67.92 146.83 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.847 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.2 tt -106.3 147.98 28.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.7 m-85 -90.06 154.82 47.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.75 -51.28 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.22 0 C-N-CA 122.769 -1.763 . . . . 0.0 112.293 0.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 p -122.23 -172.78 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.8 -24.15 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' CYS . 75.5 t -69.15 -66.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' VAL . 19.1 m -29.57 134.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.5 m -56.37 -47.34 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -93.6 156.57 16.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.847 ' HB ' HD22 ' A' ' 29' ' ' LEU . 35.0 m -131.68 135.25 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -150.33 121.84 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -60.35 100.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 40' ' ' HIS . 68.4 m-20 -32.63 -42.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.17 -55.38 30.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.508 ' HB3' HG21 ' A' ' 20' ' ' VAL . 6.8 m -39.62 -41.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 6.0 ptp180 -81.1 -34.31 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.3 tpp -98.91 -46.48 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.05 77.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.0 -46.4 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 pt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.587 ' CG ' HG11 ' A' ' 38' ' ' VAL . 5.0 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.348 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.41 117.62 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -45.54 138.09 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 4.11 5.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.15 -29.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -112.34 -24.87 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 56.92 38.87 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -150.65 153.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.481 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.5 p-90 -116.86 -176.02 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.0 m -157.67 145.76 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -37.04 -60.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -48.35 173.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -74.28 125.74 29.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.672 HD23 ' HB ' ' A' ' 38' ' ' VAL . 13.8 tp -79.64 145.97 32.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 2.9 m-85 -103.07 154.39 37.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.75 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.299 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.83 177.04 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -22.07 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.2 t -71.29 -51.04 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.183 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.9 m -54.11 110.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 31.6 p -33.02 -57.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -74.67 122.84 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.672 ' HB ' HD23 ' A' ' 29' ' ' LEU . 33.8 m -115.35 141.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.661 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -150.75 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.503 ' NE2' HD11 ' A' ' 29' ' ' LEU . 26.7 m170 -48.48 116.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -41.27 -36.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.59 -56.75 9.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -38.93 -36.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.661 HD11 ' HD2' ' A' ' 39' ' ' PHE . 18.2 mt -65.87 -53.21 42.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 14.0 ptt180 -64.67 -33.26 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 3.6 tmt_? -68.57 -65.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.9 mmm -54.97 -46.55 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.79 62.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -115.4 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' HD13 ' A' ' 29' ' ' LEU . 43.3 mp0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.857 0.361 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 mmt -105.88 116.0 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.82 145.82 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.27 0.48 19.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -128.29 -26.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 33.2 m -114.51 -20.85 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 51.96 40.86 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 24' ' ' TRP . 5.9 p -144.08 165.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.1 p-90 -127.43 172.73 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 16.7 p -142.92 150.77 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.08 -41.19 62.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.5 173.26 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 p -64.45 122.37 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 30' ' ' PHE . 2.1 tt -85.29 139.25 31.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' N ' HD23 ' A' ' 29' ' ' LEU . 5.1 m-85 -96.85 152.47 38.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.576 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.76 -51.84 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.756 -1.768 . . . . 0.0 112.35 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -138.04 177.34 7.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -95.31 -32.77 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.483 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 99.6 t -54.53 -75.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' THR . 92.5 m -38.13 104.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' CYS . 72.4 p -33.33 -44.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -81.37 123.7 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.484 ' HB ' HD22 ' A' ' 29' ' ' LEU . 30.9 m -119.54 138.96 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 31' ' ' PRO . 2.6 p90 -150.98 136.49 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -70.53 141.12 51.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -61.11 -39.7 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -64.39 -50.78 57.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.469 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.406 ' O ' ' CE ' ' A' ' 47' ' ' MET . 6.2 m -44.31 -51.3 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 12.1 ptt180 -49.4 -27.3 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 1.5 tmt_? -60.55 -58.72 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.406 ' CE ' ' O ' ' A' ' 43' ' ' CYS . 3.5 mpp? -76.2 -43.2 43.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.87 51.5 0.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -95.68 -34.73 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HB3' HG11 ' A' ' 38' ' ' VAL . 55.5 mt-10 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.408 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 5.0 mmm -116.97 150.51 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 40' ' ' HIS . 43.1 t -69.05 149.8 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.43 2.59 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -130.0 -27.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 m -111.04 -26.37 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HB3' ' A' ' 17' ' ' MET . 12.2 mm-40 55.23 45.12 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.37 147.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -118.43 164.75 14.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 2.9 m -135.44 146.88 48.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.94 -58.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -56.85 -178.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.66 138.48 56.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.755 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.3 tt -97.88 140.66 31.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.5 m-85 -82.8 154.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.75 -50.76 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.389 -0.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.85 177.04 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' VAL . 14.5 ttm180 -95.06 -69.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 35' ' ' CYS . 7.2 p -33.9 -46.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.502 ' N ' HG13 ' A' ' 34' ' ' VAL . 16.3 m -62.47 106.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.641 ' O ' HG13 ' A' ' 38' ' ' VAL . 70.2 m -41.23 -64.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -55.35 108.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.755 ' HB ' HD22 ' A' ' 29' ' ' LEU . 3.2 m -109.41 130.82 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 44' ' ' LEU . 1.1 p90 -150.24 126.33 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 41' ' ' ASP . 5.7 m170 -61.88 102.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 44' ' ' LEU . 13.6 p-10 -31.76 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -59.51 -60.05 9.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.68 -37.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 41' ' ' ASP . 60.8 mt -57.99 -52.27 66.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -72.87 -32.31 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -65.02 -57.22 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.6 tpp -67.91 -53.43 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.89 67.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -122.54 -41.14 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.649 ' HB3' HG21 ' A' ' 38' ' ' VAL . 48.8 mt-10 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.412 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 8.7 mmt -107.63 123.09 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -45.73 147.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -79.96 -0.67 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.51 -21.75 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 23' ' ' VAL . 30.6 m -121.9 -23.04 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' C ' ' HB3' ' A' ' 17' ' ' MET . 38.9 mt-10 59.0 37.17 24.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 24' ' ' TRP . 85.0 t -138.84 153.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.59 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.0 p-90 -118.74 -178.1 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.59 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 10.1 p -153.56 146.62 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.71 -41.91 64.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -70.32 175.98 4.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 p -59.5 129.87 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.68 HD22 ' HB ' ' A' ' 38' ' ' VAL . 3.8 tt -98.81 128.53 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' N ' HD23 ' A' ' 29' ' ' LEU . 2.1 m-85 -82.34 153.11 68.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.76 -51.41 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.364 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.1 p -135.35 -174.82 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 7.6 tpp85 -107.0 -55.06 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' ARG . 15.5 m -35.55 -40.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 89.9 m -78.85 109.74 13.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 m -41.53 -45.29 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -71.43 106.67 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.68 ' HB ' HD22 ' A' ' 29' ' ' LEU . 27.6 m -105.39 135.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CD2' HD21 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -151.39 122.76 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.09 141.41 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.564 ' HA ' HD12 ' A' ' 44' ' ' LEU . 4.0 m-20 -59.65 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.9 -21.6 31.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 20.4 m -79.0 -38.33 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.679 HD21 ' CD2' ' A' ' 39' ' ' PHE . 6.1 mt -68.44 -43.98 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.94 -35.48 80.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -55.48 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 19.7 mmm -66.82 -39.49 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.33 58.42 0.58 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.85 -21.63 12.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.543 ' HB2' HG11 ' A' ' 38' ' ' VAL . 7.4 pt-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.5 mtp -139.97 139.36 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -52.17 135.07 32.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -75.53 4.05 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.3 -27.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.508 ' O ' HG13 ' A' ' 23' ' ' VAL . 60.6 m -114.74 -22.95 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 53.97 35.9 23.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 21' ' ' CYS . 33.4 m -141.58 170.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.449 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 8.4 p-90 -128.55 171.57 11.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 22.6 p -142.65 146.96 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -43.03 -37.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.4 176.96 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 p -68.11 136.4 53.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.21 106.08 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.3 m-85 -82.58 151.57 65.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.84 -171.53 6.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.35 0.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' PRO . 1.8 p -45.24 173.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' VAL . 22.2 ttp180 -74.52 -52.85 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ARG . 66.0 t -28.08 -42.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ARG . 1.3 p -86.22 90.15 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' CYS . 9.6 t -33.09 -42.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' HG23 ' A' ' 36' ' ' THR . 20.1 ptt-85 -64.06 112.59 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 16' ' ' GLU . 34.6 m -112.44 126.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 31' ' ' PRO . 2.2 p90 -150.01 127.5 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 42' ' ' GLY . 29.7 m170 -54.51 101.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 31.5 t0 -33.61 -34.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -70.72 -55.48 8.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.528 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.7 m -40.93 -39.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 39' ' ' PHE . 38.0 mt -57.91 -45.39 86.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 5.8 ptm180 -78.31 -30.57 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -69.12 -41.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.5 tpp -94.76 -41.68 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.24 85.82 1.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -129.39 -41.06 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.746 HD13 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 mmt -143.3 109.5 5.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' GLU . 42.5 t -48.72 137.14 12.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.06 2.77 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 43' ' ' CYS . 2.6 t -129.32 -27.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.771 ' O ' HG23 ' A' ' 23' ' ' VAL . 26.1 m -120.58 -19.29 7.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.3 mt-10 50.86 45.62 27.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 21' ' ' CYS . 21.6 t -138.02 155.0 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.2 p-90 -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 24' ' ' TRP . 17.9 p -156.18 142.67 18.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -51.77 -34.72 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.65 175.41 7.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -63.74 125.08 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.748 HD22 ' HB ' ' A' ' 38' ' ' VAL . 2.7 tt -100.04 129.09 46.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -91.14 154.09 44.85 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.87 -51.16 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.317 0.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 p -163.04 149.65 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.484 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -87.62 21.85 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.1 t -113.36 -19.72 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 m -86.51 30.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 36' ' ' THR . 7.2 m 39.93 34.94 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -172.96 141.47 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.748 ' HB ' HD22 ' A' ' 29' ' ' LEU . 18.1 m -136.83 130.75 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 44' ' ' LEU . 1.3 p90 -150.87 116.28 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -46.7 109.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -39.98 -39.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.34 99.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.487 ' HB3' HG21 ' A' ' 20' ' ' VAL . 16.0 m -58.56 -45.37 89.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 39' ' ' PHE . 56.8 mt -64.5 -56.99 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.45 -24.67 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -67.78 -61.85 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.4 mtm -60.01 -41.04 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.12 51.74 0.81 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -103.4 -42.26 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' HG11 ' A' ' 38' ' ' VAL . 6.1 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' HG21 ' A' ' 38' ' ' VAL . 11.4 mmm -134.15 122.51 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 22' ' ' GLU . 47.3 t -43.47 132.75 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.03 -1.1 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.45 -32.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -110.14 -29.63 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' CYS . 51.0 mt-10 61.17 45.42 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.43 129.51 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.428 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.5 p-90 -97.12 173.48 7.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 p -149.34 145.99 27.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.42 -39.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 173.79 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 t -61.29 134.9 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.61 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.8 tt -99.0 127.49 44.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.0 m-85 -83.53 153.67 65.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.789 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.85 -51.43 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.355 0.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.1 -177.1 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -105.68 -34.42 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 22.4 m -59.62 -40.8 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 3.4 p -79.95 100.22 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 55.1 m -33.39 -56.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -57.98 103.78 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.61 ' HB ' HD22 ' A' ' 29' ' ' LEU . 29.1 m -104.24 132.81 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 0.8 OUTLIER -150.82 120.57 7.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -59.31 122.06 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.4 t70 -40.85 -51.61 3.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ARG . . . -56.4 -57.59 18.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -38.17 -32.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 41' ' ' ASP . 14.5 mt -63.74 -48.26 77.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.8 ptt85 -78.23 -33.9 49.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.36 -39.81 94.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.2 tpp -93.58 -58.22 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.48 73.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -119.23 -40.97 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.827 ' HB2' HG21 ' A' ' 38' ' ' VAL . 4.4 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 16' ' ' GLU . 8.1 mmt -139.58 116.8 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' GLU . 49.8 t -43.46 144.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.815 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -76.41 -2.98 34.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.63 -22.39 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.895 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 m -124.85 -15.89 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 13.7 pt-20 44.21 48.55 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 21' ' ' CYS . 48.3 t -137.35 151.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.461 ' O ' HG23 ' A' ' 25' ' ' THR . 6.1 p-90 -118.83 -177.43 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 24' ' ' TRP . 17.8 p -157.36 143.37 17.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.3 -37.47 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.69 177.04 7.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.71 137.7 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 30' ' ' PHE . 1.6 tt -111.01 131.4 55.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.549 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -82.64 153.27 67.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.787 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.56 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 54.3 Cg_endo -69.68 -51.96 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.396 -0.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.9 p -136.68 177.27 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -25.36 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.67 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.6 m -40.77 150.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -84.11 35.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -155.75 126.24 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 16' ' ' GLU . 16.0 m -119.85 129.66 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.9 p90 -151.04 133.58 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.451 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 3.7 m170 -72.33 124.38 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -45.61 -56.47 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.28 -44.24 14.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.9 m -61.36 -33.25 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.738 ' HB2' HD11 ' A' ' 50' ' ' ILE . 87.9 mt -67.0 -52.14 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.69 -29.75 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -61.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.65 -54.51 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.81 50.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -104.94 -36.25 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' ' 44' ' ' LEU . 1.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HB3' HG11 ' A' ' 38' ' ' VAL . 78.8 mt-10 . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mmt -132.89 133.92 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 34.1 t -50.66 153.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -87.77 -9.19 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.21 -13.96 10.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 m -125.51 -31.41 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 62.32 43.36 8.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.602 HG22 ' N ' ' A' ' 24' ' ' TRP . 8.3 p -140.15 168.53 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.602 ' N ' HG22 ' A' ' 23' ' ' VAL . 5.3 p-90 -132.82 171.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.58 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.8 p -143.71 149.5 37.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.4 -39.72 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.13 171.32 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -58.77 141.37 53.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 tp -111.35 119.79 40.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.544 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.8 m-85 -85.81 152.02 56.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.3 Cg_endo -69.79 -175.03 10.27 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.35 0.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' PRO . 4.8 p -32.25 146.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -58.2 -35.86 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 85.2 t -54.63 -32.13 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.6 m -71.2 92.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.1 p -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -78.6 121.14 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 16' ' ' GLU . 18.5 m -109.94 130.37 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -151.2 134.06 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -67.31 133.77 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -36.61 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -67.52 -46.27 70.92 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.28 -31.52 9.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.26 -64.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 26.6 ptt85 -50.01 -37.39 32.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -59.06 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 72.7 mtp -57.92 -47.25 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.4 59.64 0.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -104.34 -46.63 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.559 -0.217 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -164.75 141.05 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -138.41 147.09 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.59 90.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.5 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -164.46 126.16 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.3 m -134.13 176.32 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.11 92.05 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 0.55 5.44 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -106.53 99.14 8.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -81.95 141.33 47.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 156.34 63.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.56 144.1 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.1 117.79 50.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.504 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.7 OUTLIER -113.0 135.35 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.42 -12.53 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -93.26 54.22 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.7 mtt -113.86 119.82 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' MET . 25.1 t -34.49 140.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.17 -3.92 55.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 20' ' ' VAL . 56.0 t -118.8 -15.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB3' HG22 ' A' ' 23' ' ' VAL . 69.7 m -126.43 -26.44 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 57.83 38.06 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 21' ' ' CYS . 26.8 m -140.9 148.75 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.4 p-90 -118.89 -175.8 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.503 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.8 m -157.73 147.93 20.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -39.72 -60.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.93 176.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -67.76 138.82 56.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.479 HD12 ' H ' ' A' ' 30' ' ' PHE . 23.7 tp -94.38 144.08 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.3 m-85 -91.22 153.92 44.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.77 -48.84 0.25 Allowed 'Cis proline' 0 C--O 1.233 0.226 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.288 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 m -119.19 176.14 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -94.85 -52.45 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 36' ' ' THR . 94.1 t -61.32 -52.09 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' THR . 33.0 m -46.19 94.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' CYS . 59.2 m -33.1 -57.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 16.0 tpt180 -63.24 103.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.32 134.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -151.04 125.27 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -61.46 128.94 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -49.11 -39.53 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.98 82.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.7 -27.47 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD11 ' A' ' 50' ' ' ILE . 20.7 mt -79.44 -59.46 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -55.26 -42.11 73.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.1 mmm -40.95 -55.21 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.86 46.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -105.93 -38.34 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.485 HD11 ' HB2' ' A' ' 44' ' ' LEU . 1.3 mt -100.35 -70.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.185 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 38.95 43.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.81 140.37 14.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -69.9 90.27 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.9 p -115.84 41.21 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.82 119.19 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.27 162.91 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.44 39.28 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.97 135.8 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.3 m -87.33 -73.28 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -144.85 111.37 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.9 mmt -128.98 45.48 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 31' ' ' PRO . . . -100.41 -48.32 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' ALA . 2.3 t-80 -37.01 -55.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.9 p -43.1 150.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -56.72 -54.16 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.5 p -106.57 84.38 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.184 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.42 -114.24 1.72 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -97.33 134.66 40.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.703 0.287 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.25 118.77 37.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.5 p -50.78 173.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.44 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 64.5 t60 -66.16 -49.68 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 37' ' ' ARG . 20.5 m-85 -42.74 -59.11 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 p -65.23 -50.1 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 13.5 m-20 45.04 42.29 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -79.03 145.53 33.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.6 pt -92.75 40.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 77' ' ' ASN . 2.4 t30 -63.73 -61.69 2.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.8 tp -37.58 138.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp -87.53 93.56 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tp -170.33 154.85 4.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 81' ' ' THR . 9.0 t -58.62 119.86 7.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 83' ' ' GLU . 5.3 tp10 -120.75 42.03 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 82' ' ' GLU . 35.1 tt0 -36.43 113.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.4 p -101.76 164.96 11.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.18 71.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.51 60.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.0 p -55.66 116.4 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 m -40.88 119.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.207 -0.774 . . . . 0.0 112.522 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -62.16 165.85 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -151.82 150.86 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.8 178.02 39.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m 55.93 44.73 25.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -54.3 129.39 35.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.97 72.93 0.47 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 -3.58 12.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.338 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mtm105 -121.66 158.8 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.42 138.59 11.57 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.8 5.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 p -173.92 137.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.4 m -118.41 159.93 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -115.67 112.95 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.82 -67.3 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -134.62 126.66 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.426 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 15.9 mtp -141.99 141.83 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -40.33 133.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -76.94 5.21 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -125.35 -20.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.89 -28.79 4.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 17' ' ' MET . 59.8 mt-10 64.56 44.6 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.99 129.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.417 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.4 p-90 -104.0 170.9 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.9 m -149.38 145.78 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -32.59 -53.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -144.15 176.3 9.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t 74.63 28.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.532 HD21 HG21 ' A' ' 38' ' ' VAL . 9.2 tp -101.49 89.93 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CE2' ' HB1' ' A' ' 62' ' ' ALA . 8.7 m-85 -86.0 154.48 57.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 -52.01 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.367 -0.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.44 156.68 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -21.25 27.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.61 -20.39 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.1 m -91.74 32.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 36' ' ' THR . 17.0 m 34.01 36.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' CYS . 16.6 tpp180 -175.26 136.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 29' ' ' LEU . 11.6 m -137.61 139.96 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.7 ' HD1' HD11 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -150.37 111.52 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -39.3 114.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.02 -35.88 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.66 80.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.01 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.7 HD11 ' HD1' ' A' ' 39' ' ' PHE . 18.3 mt -68.6 -58.63 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HA ' HD12 ' A' ' 50' ' ' ILE . 19.7 ptt180 -53.15 -39.0 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -63.51 -55.23 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 26.5 mtp -68.46 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 48.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ILE . 18.3 m-85 -92.16 -50.59 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' TYR . 26.8 mt -33.96 -64.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.164 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 52' ' ' GLY . 29.4 tt0 -169.75 143.29 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 51' ' ' GLN . . . -36.78 -75.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -146.32 173.58 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.331 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.4 t -122.35 175.45 6.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.01 5.14 45.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.05 159.43 9.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -79.74 97.43 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.7 m -123.93 168.47 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.122 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.1 m -143.45 130.13 20.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -91.24 158.92 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.743 ' SD ' HG21 ' A' ' 64' ' ' THR . 22.7 ptp -128.25 124.49 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.629 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -99.86 -49.58 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -73.37 76.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.743 HG21 ' SD ' ' A' ' 61' ' ' MET . 1.6 p -145.65 167.39 23.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -58.89 -36.3 74.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 p -80.01 -23.7 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.6 178.75 3.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -118.59 132.35 56.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -78.36 115.2 17.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.3 m -43.11 148.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -40.59 -35.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -94.96 -51.0 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 47.9 m -55.36 132.0 47.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -148.39 153.01 37.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -125.25 133.8 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.7 pt -112.97 141.83 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -167.06 164.86 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 tp -57.71 -55.33 36.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 79' ' ' LEU . 4.1 pp -47.21 130.71 13.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 81' ' ' THR . 12.0 tp -142.31 153.41 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' LEU . 68.4 p -36.44 130.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -105.49 142.77 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 84' ' ' SER . 22.5 tt0 -162.39 150.26 14.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' GLU . 81.2 p -36.82 134.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.61 82.36 0.25 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.413 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 1.1 t -120.19 155.18 33.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 29.5 t -35.62 117.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -162.92 167.39 22.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -145.72 162.05 38.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.25 -63.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -48.18 -47.53 35.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.388 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -124.73 163.35 22.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.54 77.17 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 6.66 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -52.52 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -173.29 138.74 0.81 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 121.557 0.694 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 143.03 49.6 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.773 2.315 . . . . 0.0 112.338 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -175.09 140.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.1 m -112.66 126.7 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -121.79 88.66 2.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -74.89 -51.8 12.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -116.0 97.63 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.428 ' N ' HG22 ' A' ' 38' ' ' VAL . 3.2 mmt -143.69 124.32 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' GLU . 32.9 t -50.04 141.71 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.33 -6.7 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.02 -28.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 m -113.44 -27.08 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.1 mm-40 53.19 46.94 25.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.89 137.18 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.6 p-90 -110.1 171.19 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.427 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 19.1 p -143.94 143.25 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.28 -38.13 5.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -68.77 172.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -69.42 118.93 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.704 HD22 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -79.79 151.56 30.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.2 m-85 -102.24 153.07 38.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.72 -29.39 5.72 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.399 -0.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' HB2' HG12 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -165.84 146.22 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.35 -35.17 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 35' ' ' CYS . 12.4 p -32.18 -45.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.532 ' N ' HG13 ' A' ' 34' ' ' VAL . 2.4 p -81.39 120.9 25.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 47.6 m -34.43 -58.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -72.3 142.25 48.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HD22 ' A' ' 29' ' ' LEU . 34.3 m -128.99 141.25 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' A' ' 44' ' ' LEU . 2.1 p90 -150.89 117.78 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.4 ' ND1' HD21 ' A' ' 29' ' ' LEU . 3.2 m-70 -59.76 106.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -38.88 -36.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -64.6 -46.53 89.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.6 m -54.19 -45.78 72.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.415 HD11 ' CD1' ' A' ' 39' ' ' PHE . 27.7 mt -64.26 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 8.3 ptm180 -50.55 -36.18 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -61.67 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 25.5 mtp -57.19 -49.72 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.58 37.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.446 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -89.51 -41.08 12.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.2 mm -49.28 -64.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -135.82 -179.78 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.65 136.53 9.0 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t70 46.32 44.61 12.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 p -156.3 165.9 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.19 176.7 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.56 134.22 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -119.79 81.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.8 m -117.93 164.32 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 t -64.92 154.09 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -87.57 103.84 15.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.7 mtm -151.55 107.47 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.48 -61.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -75.66 -42.92 50.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.5 m -57.89 134.9 56.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' THR . 7.6 tp10 40.75 41.79 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' GLU . 60.3 p 35.71 43.47 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' THR . . . -36.53 -65.96 0.5 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.454 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -126.78 145.39 50.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.4 t -129.64 122.02 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 31' ' ' PRO . 4.3 m -45.39 138.85 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -41.1 -31.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.542 ' O ' ' CG ' ' A' ' 72' ' ' TYR . 6.6 p90 -125.93 43.38 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 t -88.63 149.95 23.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.413 ' HB2' HG21 ' A' ' 34' ' ' VAL . 2.7 m-20 -57.26 103.5 0.12 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -139.84 143.79 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -93.16 171.37 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.57 101.22 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.657 HD23 ' H ' ' A' ' 78' ' ' LEU . 1.6 pt? -101.45 174.22 6.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.465 HD12 ' H ' ' A' ' 79' ' ' LEU . 6.1 mp -65.44 120.42 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 80' ' ' LEU . 3.5 pp -134.98 151.01 50.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 48.1 m -98.64 149.77 22.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -80.42 92.03 5.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.0 pt-20 -139.84 169.42 17.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' GLU . 45.5 m -37.88 141.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.79 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.08 91.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.83 64.85 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.3 p -88.97 174.9 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -114.14 118.55 34.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.456 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -49.17 104.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -121.67 88.52 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.38 58.98 0.68 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -57.18 -17.48 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -94.61 125.59 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.42 72.1 0.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.438 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 6.97 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.361 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 17.2 ttm180 -86.09 135.28 33.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 20.7 mm-40 36.09 51.55 1.66 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 53.4 Cg_endo -69.78 128.4 15.96 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' VAL . 90.3 t -102.63 134.52 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.1 p -34.23 143.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -146.04 138.21 25.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -126.91 -58.94 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB2' HG11 ' A' ' 38' ' ' VAL . 5.1 pt-20 -118.52 100.28 7.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 16.3 mmm -127.49 129.62 47.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.1 t -48.4 139.34 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -77.25 1.59 18.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.65 -23.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HG13 ' A' ' 23' ' ' VAL . 43.8 m -120.17 -21.22 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 52.43 44.71 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 21' ' ' CYS . 28.9 m -139.68 155.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.2 p-90 -123.12 172.98 8.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.4 p -145.82 148.83 33.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.77 -38.8 64.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.68 177.92 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -68.6 140.01 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.643 HD11 ' CD2' ' A' ' 40' ' ' HIS . 21.9 tp -108.05 158.68 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.9 m-85 -115.53 155.56 47.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.85 -51.47 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' O ' HG12 ' A' ' 38' ' ' VAL . 1.5 p -127.1 170.7 12.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -23.4 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.34 -40.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 m -59.94 149.99 30.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 p -81.95 37.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -173.7 111.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HB ' HD23 ' A' ' 29' ' ' LEU . 35.8 m -106.6 141.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -150.9 113.55 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.643 ' CD2' HD11 ' A' ' 29' ' ' LEU . 25.8 m170 -48.69 148.42 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -77.69 -36.01 51.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 -10.55 81.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.3 -49.32 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD11 ' HD2' ' A' ' 39' ' ' PHE . 41.6 mt -54.68 -38.74 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 7.4 ptp180 -68.81 -37.18 79.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.5 tmt_? -78.03 -68.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.6 tmm? -35.62 -56.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.59 60.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -123.27 -70.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -66.57 -56.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -75.79 111.7 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.29 -134.87 3.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -114.12 41.32 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.3 p -96.13 -60.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.68 178.6 6.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.69 178.42 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -63.62 112.55 2.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.2 t -145.18 106.46 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.7 t -39.52 160.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -127.55 105.24 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.8 mmt -96.91 83.03 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.23 -59.3 2.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.071 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -76.62 86.57 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' GLU . 3.3 m -142.57 158.7 43.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' THR . 29.7 tt0 -36.18 -57.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 78.3 p -85.26 -48.74 8.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.24 -171.15 18.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -124.64 119.41 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -78.55 126.66 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -50.81 -179.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -76.32 -49.83 15.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -55.37 -16.9 4.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.9 m -53.91 148.98 9.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -90.87 37.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.772 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -123.82 129.83 51.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -110.76 66.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -122.39 83.55 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 78' ' ' LEU . 6.7 tt -151.05 106.49 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mt -139.24 160.16 40.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.67 128.88 38.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.9 p -130.15 -39.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -155.35 162.77 40.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -153.34 111.37 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -130.0 151.01 51.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.45 65.56 0.54 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -173.42 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.625 2.217 . . . . 0.0 112.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.1 t 66.08 40.94 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.4 t -95.73 133.27 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.432 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -172.27 146.74 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -63.54 -43.89 95.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.925 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.06 -97.53 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p 43.04 41.09 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p -141.35 131.16 24.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.39 149.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.429 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -7.34 20.82 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -136.83 140.75 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 3.6 mt-10 -46.66 -62.24 2.09 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.651 0.738 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.9 Cg_endo -69.69 149.78 67.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 m -111.59 129.64 66.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.3 m -133.17 48.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.46 ' HB3' ' CE ' ' A' ' 17' ' ' MET . 2.1 t-20 -99.07 -177.58 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -123.58 -43.45 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HB3' HG11 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -83.91 83.18 8.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 14' ' ' ASN . 8.5 mmt -116.21 116.8 28.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 41.6 t -47.3 142.52 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.98 -3.16 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 43' ' ' CYS . 80.2 t -123.6 -30.63 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.487 ' O ' HG13 ' A' ' 23' ' ' VAL . 25.6 m -111.2 -21.96 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' CYS . 45.6 mt-10 52.22 43.23 30.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 21' ' ' CYS . 27.4 m -140.68 165.25 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 8.3 p-90 -130.02 173.11 11.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.444 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 9.5 p -142.01 148.04 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.7 -41.19 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -73.96 174.08 9.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 m -58.98 127.25 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.701 HD22 ' HB ' ' A' ' 38' ' ' VAL . 2.3 tt -95.82 144.39 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.666 ' N ' HD23 ' A' ' 29' ' ' LEU . 5.7 m-85 -90.54 153.09 45.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.55 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.75 -47.04 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.411 -0.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.87 -177.16 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HD3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -116.64 -24.12 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.468 HG23 ' HD3' ' A' ' 33' ' ' ARG . 88.2 t -69.83 -48.92 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' THR . 97.2 m -66.91 112.08 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.425 ' O ' HG13 ' A' ' 38' ' ' VAL . 36.6 p -37.63 -59.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -59.6 121.35 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.708 HG11 ' HB3' ' A' ' 16' ' ' GLU . 19.9 m -118.12 139.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -149.89 112.4 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -54.06 111.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.75 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -41.13 -31.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.81 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.3 -58.0 7.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' HB3' HG21 ' A' ' 20' ' ' VAL . 58.2 m -43.95 -40.11 4.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 41' ' ' ASP . 10.0 mt -60.98 -58.62 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.1 -26.28 62.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.68 -61.14 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.407 ' CE ' ' CE2' ' A' ' 49' ' ' TYR . 30.1 mtm -79.07 -55.06 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.63 53.01 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.407 ' CE2' ' CE ' ' A' ' 47' ' ' MET . 14.0 m-85 -93.48 -44.48 8.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.929 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 51' ' ' GLN . 2.5 pp -119.18 -32.27 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.471 ' HB2' HD12 ' A' ' 50' ' ' ILE . 5.9 tt0 -114.09 112.14 22.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.02 43.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -134.53 156.56 48.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.1 t -71.87 -40.02 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.98 5.7 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.29 126.89 53.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.27 69.81 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.5 t -120.1 140.18 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 t -160.55 133.33 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 53.53 42.35 31.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.23 -42.07 21.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -53.7 -50.64 65.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' THR . 27.9 t-80 -62.73 -42.63 99.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' HIS . 87.3 m -37.3 -66.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 67' ' ' GLY . 9.0 tt0 -110.12 130.95 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.3 m -43.32 91.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 30' ' ' PHE . . . 68.87 115.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -75.71 132.34 40.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.775 0.322 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.7 m -85.44 113.19 21.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.584 ' SG ' ' CD1' ' A' ' 72' ' ' TYR . 4.3 p -46.24 161.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -71.18 -19.52 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.584 ' CD1' ' SG ' ' A' ' 70' ' ' CYS . 23.5 p90 -106.87 36.37 2.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.3 m -78.11 47.69 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -161.7 142.49 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -111.51 38.23 2.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.0 pt -72.08 131.65 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -67.47 88.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.5 tp -108.23 129.26 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.01 142.89 27.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -145.73 149.07 33.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.0 p -64.35 102.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.16 89.13 4.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -109.77 42.48 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -163.62 160.64 23.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.39 68.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.543 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -29.63 23.54 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.0 t -134.76 143.93 47.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.0 m -54.32 155.52 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.812 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.49 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -108.07 145.69 33.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.869 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -143.6 175.78 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 125.52 3.73 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -127.56 104.76 8.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 110.909 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 p -146.67 126.18 13.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.34 -168.17 27.86 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.464 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -3.09 11.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -96.39 142.32 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.26 121.85 33.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.721 0.772 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 129.34 17.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.6 m -88.4 140.41 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -108.97 142.52 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.508 ' ND2' ' CD1' ' A' ' 24' ' ' TRP . 27.9 m120 -91.98 174.25 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -121.52 -52.36 2.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -132.23 129.58 39.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.486 ' C ' HG23 ' A' ' 38' ' ' VAL . 17.3 mtp -133.56 146.31 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.86 150.24 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.17 0.8 50.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -127.36 -27.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' O ' HG13 ' A' ' 23' ' ' VAL . 46.1 m -110.97 -23.82 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' C ' ' HB3' ' A' ' 17' ' ' MET . 28.7 mt-10 56.15 41.54 29.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 21' ' ' CYS . 33.1 m -136.67 147.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.5 p-90 -120.23 176.59 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.555 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 15.1 p -150.38 151.62 33.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -57.13 -37.29 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -74.12 177.49 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -66.3 125.36 25.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.799 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.4 tt -92.56 140.1 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' CE2' ' HB3' ' A' ' 62' ' ' ALA . 3.3 m-85 -82.8 152.33 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.568 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.79 -50.43 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.271 0.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -140.92 -176.42 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 3.2 ptm180 -104.06 -33.87 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.459 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 97.2 t -45.45 -69.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.9 m -39.35 157.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.5 p -90.9 44.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -174.88 160.59 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.561 ' HB ' HD22 ' A' ' 29' ' ' LEU . 16.5 m -135.21 132.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CD1' HD11 ' A' ' 44' ' ' LEU . 2.6 p90 -151.39 122.87 7.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CD2' HD21 ' A' ' 29' ' ' LEU . 12.5 m170 -71.67 122.63 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -46.38 -46.62 18.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.9 -25.48 59.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.365 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 m -80.27 -33.75 37.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.616 HD11 ' CD1' ' A' ' 39' ' ' PHE . 80.3 mt -77.9 -43.66 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -58.39 -30.85 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -66.26 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.9 mmm -61.36 -54.19 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.04 48.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -94.0 -37.92 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 pt -106.62 -29.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -173.18 170.99 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.74 -43.83 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -37.91 -46.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.8 p -149.47 153.2 36.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.73 143.56 44.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.64 136.49 54.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.57 45.86 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.5 t -100.11 127.04 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.5 m -40.62 141.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -125.06 130.27 51.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.7 mmt -134.21 132.2 39.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.616 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -120.45 -42.12 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.036 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -81.99 45.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.7 p -140.96 146.42 37.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -47.04 141.21 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p 43.36 37.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.31 -117.7 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -80.9 146.5 30.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.328 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -104.15 97.09 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 71' ' ' HIS . 4.7 m -44.23 157.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 70' ' ' CYS . 17.6 m-70 -35.21 -40.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -98.13 -45.32 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.3 m -53.28 145.73 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -170.05 157.41 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -132.0 154.84 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.1 pt -53.44 -29.78 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.43 96.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 tp -94.2 150.85 19.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.29 179.93 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.831 ' C ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -136.18 165.34 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.767 ' N ' HD22 ' A' ' 80' ' ' LEU . 24.9 m -149.01 134.74 18.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.203 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -104.52 105.57 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 154.07 50.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -85.76 175.63 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.71 112.31 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.63 59.62 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.353 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 m -42.33 119.92 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.8 p -71.5 146.63 48.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.513 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -102.46 142.21 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 0.0 110.807 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -61.98 150.22 38.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.0 -101.73 0.18 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -174.18 178.45 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -86.11 103.83 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.73 65.85 2.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.71 3.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.56 23.94 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -134.13 114.34 12.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.689 0.757 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 140.05 41.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 12' ' ' VAL . 15.9 m -124.34 83.1 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.2 p -36.55 139.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -113.33 94.44 4.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.33 -46.23 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -136.42 113.42 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -132.39 118.99 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' HA ' HG23 ' A' ' 38' ' ' VAL . 36.5 t -51.44 144.09 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 37' ' ' ARG . 72.0 m-20 -77.26 -4.64 45.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.13 -26.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m -115.59 -26.65 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.2 mm-40 51.4 48.6 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.49 135.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -99.68 167.72 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.496 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.7 p -139.56 148.28 42.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -47.88 -38.96 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.45 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -78.16 130.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.713 HD23 ' HB ' ' A' ' 38' ' ' VAL . 6.3 tp -83.54 161.21 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.0 m-85 -119.37 153.82 53.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 52.6 Cg_endo -69.8 -38.47 1.62 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.236 0.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.64 ' HB2' HG22 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -157.74 140.3 14.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.2 ppt_? -77.77 -30.98 51.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG22 ' HB2' ' A' ' 32' ' ' CYS . 33.3 m -35.62 -39.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.9 p -86.82 122.81 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 87.7 m -35.87 -62.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.496 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 33.2 ttt-85 -72.85 119.99 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.713 ' HB ' HD23 ' A' ' 29' ' ' LEU . 33.7 m -110.34 145.16 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.556 ' HD1' HD11 ' A' ' 44' ' ' LEU . 1.8 p90 -150.63 111.28 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.697 ' NE2' HD11 ' A' ' 29' ' ' LEU . 46.1 m170 -50.56 138.32 17.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.03 -35.11 79.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -71.08 -34.45 64.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.14 -50.21 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.556 HD11 ' HD1' ' A' ' 39' ' ' PHE . 16.0 mt -55.33 -57.61 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 23.3 ptt180 -52.75 -35.24 55.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 6.7 tmm_? -71.72 -70.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.1 mmm -47.83 -38.67 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.5 69.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -122.57 -46.74 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.0 pt -95.17 -30.51 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -111.15 116.14 30.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.34 -73.65 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -72.28 -52.0 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.75 0.31 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -112.86 114.95 27.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.15 115.36 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.16 110.88 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -101.25 98.01 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.13 137.45 54.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 60' ' ' GLU . 90.5 m -40.61 154.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' N ' HG22 ' A' ' 59' ' ' THR . 60.0 mt-10 -67.6 87.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 19.0 ptp -172.87 134.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.76 -44.18 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -83.04 -56.37 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 64' ' ' THR . 1.7 t -68.03 153.16 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' THR . 11.5 tt0 50.83 41.68 26.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 74.0 p 34.83 41.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -38.97 -92.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -123.94 118.87 28.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -94.32 129.87 40.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.015 0.436 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.5 m -44.97 146.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -44.35 -42.85 7.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.588 ' O ' ' CG ' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -110.92 35.97 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.12 145.71 28.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -48.07 169.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m120 62.13 42.32 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mt -59.48 101.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -111.1 92.92 4.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.562 ' C ' HD22 ' A' ' 79' ' ' LEU . 2.9 tt -89.94 129.68 36.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.562 HD22 ' C ' ' A' ' 78' ' ' LEU . 4.3 mm? -122.52 144.24 49.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.04 133.33 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -125.65 165.14 19.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.61 154.75 20.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 66.47 41.08 3.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.4 m -154.61 137.82 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.15 64.04 0.6 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 167.69 23.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.745 2.297 . . . . 0.0 112.297 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.9 m -113.25 83.54 1.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.4 m 45.72 42.1 8.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.49 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m -99.19 -60.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -141.27 176.64 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.795 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.88 -160.3 8.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -105.09 140.04 38.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -54.76 136.84 45.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.58 -73.08 0.29 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 4.04 2.39 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.403 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -71.63 168.83 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 20.5 mp0 -115.87 112.67 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.706 0.765 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 53.3 Cg_endo -69.75 179.19 3.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.339 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m -91.98 138.78 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -51.93 142.99 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -115.71 163.13 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.75 -41.7 3.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' HG21 ' A' ' 38' ' ' VAL . 19.3 mt-10 -79.99 49.99 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mmm -107.81 126.96 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.8 t -41.24 149.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.0 -0.73 56.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.534 HG21 ' CE ' ' A' ' 47' ' ' MET . 91.8 t -125.54 -16.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -123.36 -29.38 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.36 42.42 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 m -146.96 142.35 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.4 p-90 -113.35 176.92 4.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.551 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.3 p -149.08 149.72 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.131 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -49.78 -40.34 41.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.49 175.58 4.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m -66.1 133.8 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.468 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.6 tt -99.08 132.55 44.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.6 m-85 -83.52 151.99 63.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.74 -50.7 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.327 -0.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.24 -178.01 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -113.18 -26.47 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.09 -34.72 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 36' ' ' THR . 98.9 m -87.49 106.09 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.7 m -32.01 -45.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -67.46 101.22 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HB ' HD22 ' A' ' 29' ' ' LEU . 28.2 m -106.07 129.16 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -151.34 123.88 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -49.96 152.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.53 -37.93 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -68.93 -50.27 36.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 m -40.28 -42.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 50' ' ' ILE . 21.7 mt -60.3 -64.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 43.1 ptt85 -53.31 -35.84 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -54.08 -49.05 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.534 ' CE ' HG21 ' A' ' 20' ' ' VAL . 55.6 mtm -84.34 -54.99 4.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.45 58.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -110.98 -38.98 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.484 HD11 ' HB2' ' A' ' 44' ' ' LEU . 15.8 mt -60.33 -60.15 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -83.08 137.43 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.89 89.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 63.31 32.19 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.3 p -167.28 121.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.97 6.15 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.35 1.94 11.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 1.5 pm0 -133.92 44.05 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.1 m -111.03 140.39 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.9 m -132.41 90.42 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -122.52 98.23 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 38.0 mtt -153.88 132.85 12.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.15 159.64 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 45.69 39.16 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 65' ' ' GLU . 1.3 m -114.44 177.31 4.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.712 ' H ' HG22 ' A' ' 64' ' ' THR . 10.0 pt-20 -34.16 -38.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' THR . 27.1 m -91.42 -60.21 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.136 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.57 -134.77 7.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.554 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.433 ' CE3' ' O ' ' A' ' 68' ' ' TRP . 5.5 p-90 -124.26 125.7 44.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -138.42 113.2 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . 1.2 p -69.39 -179.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -73.94 -39.51 63.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -91.25 38.17 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.5 m -101.4 129.77 47.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -155.75 119.01 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -102.46 -50.15 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.545 ' C ' HD12 ' A' ' 76' ' ' ILE . 2.8 pp -118.27 158.92 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -82.39 113.06 19.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 76' ' ' ILE . 5.1 tt -133.67 99.21 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.59 112.97 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.76 152.47 19.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 82' ' ' GLU . 13.6 t -62.29 -32.24 72.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 81' ' ' THR . 2.9 pp20? 31.2 42.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 83' ' ' GLU . 10.3 tm-20 -83.63 45.2 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.0 p -74.96 -32.97 61.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.27 77.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 176.71 6.38 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.752 2.302 . . . . 0.0 112.362 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 2.7 m -151.83 175.88 11.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 44.0 p -35.42 121.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.557 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m -139.61 151.11 45.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -46.89 134.42 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.11 61.16 0.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -94.03 133.88 37.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 110.783 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -51.74 -48.19 63.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.6 73.25 1.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' O ' ' C ' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.69 -36.33 11.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 8' ' ' PRO . 3.5 ptm180 30.24 48.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -111.38 129.07 24.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 126.82 13.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.576 2.184 . . . . 0.0 112.346 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.37 153.35 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.6 m -134.49 120.06 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -150.41 -179.53 7.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.55 -34.29 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.526 ' C ' HG21 ' A' ' 38' ' ' VAL . 9.2 tt0 -80.53 44.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.963 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 mtp -108.4 133.51 52.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 41.7 t -50.54 143.13 9.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.94 0.1 36.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.72 -21.05 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -121.22 -27.46 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 62.02 46.87 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -148.05 141.45 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.7 p-90 -112.31 179.98 3.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.552 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 m -155.58 150.3 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -42.53 -60.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.47 169.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -66.46 125.55 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 30' ' ' PHE . 1.6 tt -80.9 133.23 35.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 7.8 m-85 -84.18 151.86 60.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.79 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.398 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -130.54 -179.69 5.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -116.5 -23.45 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.31 -59.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.1 m -41.57 145.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -78.19 45.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -174.46 113.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.526 HG21 ' C ' ' A' ' 16' ' ' GLU . 29.5 m -108.2 129.96 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 39' ' ' PHE . 1.1 p90 -151.18 127.57 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -53.29 159.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -83.68 -26.85 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.27 -24.37 54.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.442 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.25 -33.21 75.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.79 -51.85 13.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -61.07 -40.63 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 7.0 tmm_? -59.29 -59.07 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 46.9 mtp -63.14 -52.74 61.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.41 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -91.46 -43.07 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 pt -111.96 -21.27 5.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -172.41 155.21 3.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -127.9 -58.91 0.12 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -49.31 123.74 7.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 90.2 p -86.43 138.16 31.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -143.14 -175.96 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.13 39.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG2' ' HB3' ' A' ' 55' ' ' ALA . 2.5 pt-20 -121.17 118.97 31.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -120.43 170.52 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.6 m -134.07 131.31 38.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -148.26 172.55 14.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 mmm 61.75 46.2 7.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.1 -58.13 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.2 68.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.1 p -146.78 166.54 26.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -50.09 131.29 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.4 p 39.94 42.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.05 -127.73 1.21 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -102.38 120.53 40.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.5 p -106.37 146.78 30.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.45 ' SG ' ' C ' ' A' ' 72' ' ' TYR . 2.7 p -48.09 175.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -68.65 -36.58 78.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 72' ' ' TYR . 37.9 p90 -126.86 93.49 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.21 178.26 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -59.7 -47.06 87.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -96.77 124.19 40.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.9 pt -103.68 147.22 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -153.02 176.17 12.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 tp -76.41 154.71 34.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.55 102.93 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 pp -43.31 163.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 p -68.37 91.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -107.37 118.61 37.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -138.68 124.55 19.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.8 p -170.04 150.07 3.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 86' ' ' PRO . . . 156.14 93.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 85' ' ' GLY . 53.7 Cg_endo -69.79 141.17 44.4 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 m -81.45 90.18 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.5 p -154.62 146.67 23.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.447 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -39.64 128.65 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -168.61 130.78 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.05 -60.5 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -135.14 114.79 12.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -144.51 120.53 10.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 69.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -4.96 15.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.99 150.32 21.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -108.79 133.55 20.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 113.78 3.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.668 2.246 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.75 139.31 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 t -93.09 136.34 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -160.73 -178.86 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.73 -37.16 6.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' C ' HG21 ' A' ' 38' ' ' VAL . 75.7 mt-10 -84.13 53.18 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.416 ' HB2' ' N ' ' A' ' 23' ' ' VAL . 5.8 ptp -134.72 143.22 47.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.0 t -41.09 134.81 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.25 3.33 18.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.68 -20.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -119.94 -24.9 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 62.79 44.24 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.416 ' N ' ' HB2' ' A' ' 17' ' ' MET . 5.4 m -137.85 135.16 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.0 p-90 -113.81 -179.91 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.543 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.0 p -152.22 150.69 30.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -55.24 -39.42 69.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.92 175.37 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -66.44 121.29 14.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.6 tt -83.56 141.19 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' N ' HD23 ' A' ' 29' ' ' LEU . 4.3 m-85 -84.98 153.73 60.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.76 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.28 0.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.61 166.73 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -99.55 -30.23 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.47 -51.93 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.8 m -58.82 110.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -44.2 -26.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -91.85 107.22 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.727 ' HB ' HD22 ' A' ' 29' ' ' LEU . 34.9 m -109.5 132.84 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.813 ' CD1' HD11 ' A' ' 44' ' ' LEU . 1.6 p90 -150.0 130.7 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 33.5 m170 -59.09 106.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -35.72 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -69.96 -54.71 10.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.8 m -46.27 -33.8 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.813 HD11 ' CD1' ' A' ' 39' ' ' PHE . 20.4 mt -69.07 -59.95 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 4.2 ptm180 -56.03 -36.32 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.99 -61.15 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.9 mmm -50.13 -60.04 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.46 55.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' ILE . 73.9 m-85 -112.94 -70.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.932 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' TYR . 2.1 mt -31.43 -50.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -127.79 158.13 38.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.37 -91.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -100.36 38.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.358 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -154.21 162.87 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.28 167.56 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -171.94 172.58 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -110.34 85.67 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.3 m -132.8 167.35 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.1 m -118.81 -23.61 6.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 64.05 46.78 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.0 mmt -63.9 102.82 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.21 -47.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -73.35 -44.17 59.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.51 HG22 ' N ' ' A' ' 65' ' ' GLU . 10.8 m -53.36 163.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.51 ' N ' HG22 ' A' ' 64' ' ' THR . 22.3 tt0 -42.05 164.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' GLY . 51.6 p 41.19 45.4 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' THR . . . -35.15 135.04 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -72.17 137.94 47.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.4 p -84.99 143.13 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.52 -172.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' CYS . 58.1 t-80 -76.43 -67.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.797 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -43.09 -22.44 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' HIS . 6.8 m -56.22 -53.31 58.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -143.78 122.09 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -70.91 122.42 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.03 124.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -72.04 -52.26 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 tp -84.87 86.3 7.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -91.17 111.6 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -35.72 111.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LEU . 3.4 t -37.48 119.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -160.56 120.4 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -98.38 46.39 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 m -122.47 37.74 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.787 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.58 120.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -5.64 16.65 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.762 2.308 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.0 p -108.71 46.38 0.97 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -165.68 169.59 15.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.432 ' C ' ' HB3' ' A' ' 79' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -122.67 162.64 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.366 . . . . 0.0 110.818 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -131.52 152.06 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.912 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.3 -131.67 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -130.25 99.41 5.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -164.28 159.37 19.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 108.52 3.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.452 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -3.88 12.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.661 2.24 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -105.61 41.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -151.72 151.18 27.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.691 0.757 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.734 2.289 . . . . 0.0 112.32 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 13' ' ' VAL . 87.0 t -136.63 136.34 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.8 t -34.06 151.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' VAL . 7.4 p-10 36.93 49.37 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -57.92 -42.21 84.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -64.86 107.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.9 mmt -144.11 123.93 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 45.2 t -58.19 145.94 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.97 -1.03 30.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 43' ' ' CYS . 21.9 t -126.4 -25.51 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 27.4 m -116.63 -21.47 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 7.9 pt-20 43.89 42.28 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.19 147.84 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.0 p-90 -116.83 -176.33 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.558 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.3 m -159.57 148.5 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.53 -54.88 2.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.1 176.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -67.92 146.83 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.847 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.2 tt -106.3 147.98 28.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.7 m-85 -90.06 154.82 47.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.75 -51.28 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.22 0 C-N-CA 122.769 -1.763 . . . . 0.0 112.293 0.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 p -122.23 -172.78 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.8 -24.15 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' CYS . 75.5 t -69.15 -66.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' VAL . 19.1 m -29.57 134.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.5 m -56.37 -47.34 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -93.6 156.57 16.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.847 ' HB ' HD22 ' A' ' 29' ' ' LEU . 35.0 m -131.68 135.25 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -150.33 121.84 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -60.35 100.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 40' ' ' HIS . 68.4 m-20 -32.63 -42.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.17 -55.38 30.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.508 ' HB3' HG21 ' A' ' 20' ' ' VAL . 6.8 m -39.62 -41.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 6.0 ptp180 -81.1 -34.31 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.3 tpp -98.91 -46.48 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.05 77.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.0 -46.4 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.432 HD13 ' CD ' ' A' ' 60' ' ' GLU . 11.3 pt -87.61 -16.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -143.64 120.77 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.8 -83.47 1.5 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.01 176.15 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 p -85.15 44.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.58 115.94 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.88 125.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.78 30.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.67 132.51 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.2 t -148.03 148.51 30.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' CD ' HD13 ' A' ' 50' ' ' ILE . 11.1 pt-20 -132.61 141.06 48.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.0 mtm -132.77 84.33 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.471 ' HB1' ' HE2' ' A' ' 30' ' ' PHE . . . -70.93 173.22 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.5 t60 46.9 38.89 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 83.7 m -131.52 -41.8 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' THR . 1.9 tp10 -128.43 -175.28 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' GLU . 28.7 m -35.86 -41.61 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.24 148.12 4.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.427 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.415 ' CE3' ' O ' ' A' ' 69' ' ' SER . 4.3 t90 -105.4 149.04 26.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.803 0.335 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.415 ' O ' ' CE3' ' A' ' 68' ' ' TRP . 16.3 m -78.3 139.13 38.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.5 m -64.39 174.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -51.91 -47.38 64.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -112.16 47.03 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.5 m -137.73 142.25 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 31.6 p30 -173.46 163.22 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -109.96 172.86 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.8 mt -78.55 97.06 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -129.84 -57.31 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.1 tp -110.26 121.59 45.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 80' ' ' LEU . 14.6 tp -116.58 42.84 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -159.71 106.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.852 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.1 m -54.26 130.8 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -121.71 -41.52 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -120.13 164.53 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -93.17 175.72 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.45 70.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 179.56 3.64 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.236 . . . . 0.0 112.318 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 t -153.92 136.48 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.4 p -64.8 177.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.535 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -86.07 117.05 24.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 m -163.2 146.57 10.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.32 159.63 10.2 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -100.78 172.3 7.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -174.94 167.57 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.61 -66.9 0.56 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -4.21 13.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -100.32 119.78 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 6.4 mt-10 53.74 51.39 8.38 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.681 0.753 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 53.9 Cg_endo -69.81 169.41 19.04 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.7 t -150.33 143.4 17.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.5 p -86.46 146.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.11 179.01 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -104.19 -37.99 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.587 ' CG ' HG11 ' A' ' 38' ' ' VAL . 5.0 tt0 -78.33 44.43 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.41 117.62 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -45.54 138.09 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 4.11 5.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.15 -29.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -112.34 -24.87 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 56.92 38.87 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -150.65 153.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.481 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.5 p-90 -116.86 -176.02 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.0 m -157.67 145.76 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -37.04 -60.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -48.35 173.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -74.28 125.74 29.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.672 HD23 ' HB ' ' A' ' 38' ' ' VAL . 13.8 tp -79.64 145.97 32.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE2' ' HB3' ' A' ' 62' ' ' ALA . 2.9 m-85 -103.07 154.39 37.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.75 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.299 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.83 177.04 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -22.07 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.2 t -71.29 -51.04 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.183 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.9 m -54.11 110.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 31.6 p -33.02 -57.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -74.67 122.84 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.672 ' HB ' HD23 ' A' ' 29' ' ' LEU . 33.8 m -115.35 141.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.661 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -150.75 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.503 ' NE2' HD11 ' A' ' 29' ' ' LEU . 26.7 m170 -48.48 116.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -41.27 -36.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.59 -56.75 9.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -38.93 -36.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.661 HD11 ' HD2' ' A' ' 39' ' ' PHE . 18.2 mt -65.87 -53.21 42.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 14.0 ptt180 -64.67 -33.26 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 3.6 tmt_? -68.57 -65.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.9 mmm -54.97 -46.55 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.79 62.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -115.4 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 pt -94.24 -19.74 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.2 129.22 54.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -136.96 -107.98 0.86 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -85.73 44.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -173.78 136.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.16 173.82 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -168.75 157.15 8.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -83.35 87.6 6.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.29 140.96 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 59' ' ' THR . 10.0 t -75.43 113.03 12.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -105.82 81.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.4 ttm -103.64 118.34 36.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.776 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -90.12 45.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -129.95 -49.3 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.6 p -49.68 172.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -51.33 -45.9 62.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 66' ' ' THR . 11.7 t -82.41 44.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.52 164.34 1.66 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -89.94 116.22 27.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.67 0.271 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.2 p -98.1 109.41 22.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -54.55 165.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' CYS . 70.9 m-70 -33.72 -65.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 73' ' ' CYS . 34.7 m-85 -55.51 -59.03 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.478 ' C ' ' O ' ' A' ' 72' ' ' TYR . 57.0 m -30.45 140.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -40.9 157.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -92.48 138.14 31.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.2 pt -103.7 165.93 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -96.46 116.53 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.03 101.59 3.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.1 tp -111.01 106.93 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.59 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.8 pt? -94.25 141.02 29.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -167.25 109.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 83' ' ' GLU . 5.0 tt0 65.51 37.79 5.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' GLU . 41.9 tt0 -36.3 117.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 p -145.89 163.94 33.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.89 93.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 176.44 6.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 m -114.77 172.58 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 86.8 p -134.93 178.55 6.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -97.51 82.42 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -63.38 131.07 47.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.85 83.04 1.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -93.12 106.82 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m -90.66 39.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.52 118.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.556 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.476 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 54.1 Cg_endo -69.67 8.08 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.36 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 10' ' ' GLU . 10.5 ttp-105 -73.54 91.74 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 9' ' ' ARG . 8.0 pt-20 31.83 54.97 0.96 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.476 ' HD3' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.74 115.42 4.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 11' ' ' PRO . 33.7 m -33.18 145.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.6 m -61.47 147.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB2' ' CE ' ' A' ' 17' ' ' MET . 16.6 p30 -109.42 107.51 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.16 7.57 46.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' HD13 ' A' ' 29' ' ' LEU . 43.3 mp0 -115.84 79.74 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.427 ' CE ' ' HB2' ' A' ' 14' ' ' ASN . 6.3 mmt -105.88 116.0 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.82 145.82 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.27 0.48 19.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -128.29 -26.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.2 m -114.51 -20.85 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 51.96 40.86 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 24' ' ' TRP . 5.9 p -144.08 165.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.1 p-90 -127.43 172.73 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 16.7 p -142.92 150.77 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.08 -41.19 62.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.5 173.26 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 p -64.45 122.37 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 30' ' ' PHE . 2.1 tt -85.29 139.25 31.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' N ' HD23 ' A' ' 29' ' ' LEU . 5.1 m-85 -96.85 152.47 38.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.576 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.76 -51.84 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.756 -1.768 . . . . 0.0 112.35 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -138.04 177.34 7.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -95.31 -32.77 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.483 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 99.6 t -54.53 -75.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' THR . 92.5 m -38.13 104.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' CYS . 72.4 p -33.33 -44.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -81.37 123.7 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.484 ' HB ' HD22 ' A' ' 29' ' ' LEU . 30.9 m -119.54 138.96 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 31' ' ' PRO . 2.6 p90 -150.98 136.49 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -70.53 141.12 51.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -61.11 -39.7 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -64.39 -50.78 57.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.469 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.406 ' O ' ' CE ' ' A' ' 47' ' ' MET . 6.2 m -44.31 -51.3 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 12.1 ptt180 -49.4 -27.3 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 1.5 tmt_? -60.55 -58.72 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.406 ' CE ' ' O ' ' A' ' 43' ' ' CYS . 3.5 mpp? -76.2 -43.2 43.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.87 51.5 0.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -95.68 -34.73 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -70.81 -72.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 50' ' ' ILE . 6.4 mt-30 32.5 47.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -146.93 -91.96 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.442 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.56 133.77 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 91.7 p -75.77 96.6 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.48 139.19 44.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.8 174.14 7.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.97 104.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.5 p -175.08 137.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.5 m -78.9 103.14 8.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.77 161.67 13.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -114.23 103.98 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.07 -52.14 10.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -38.49 -61.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.0 p -48.96 177.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' THR . 4.7 pt-20 -83.97 -175.6 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' GLU . 55.0 p 36.51 37.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.24 -130.14 4.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -112.56 98.9 7.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 p -86.36 150.01 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.9 m -38.38 147.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -42.64 -35.67 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' A' ' 72' ' ' TYR . 24.0 p90 -130.27 47.72 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.6 t -84.25 -50.41 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.95 -54.8 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -98.04 99.92 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.0 pt -94.12 133.75 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.57 121.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -134.77 139.66 45.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 80' ' ' LEU . 21.3 tp -132.92 161.67 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 81' ' ' THR . 2.2 mp -34.0 129.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 80' ' ' LEU . 60.5 p -32.79 113.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -89.67 -32.93 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -124.94 157.85 35.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.7 t -47.44 107.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.99 62.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.538 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HA ' HG21 ' A' ' 81' ' ' THR . 53.6 Cg_endo -69.78 125.82 12.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.7 m -122.58 93.72 4.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -103.29 114.05 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.452 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 38.74 41.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -72.03 -44.93 62.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.51 45.6 0.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -157.6 132.67 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -93.02 102.19 14.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 130.93 5.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 0.21 5.97 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.85 115.48 28.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 10.0 mt-10 -61.91 -60.58 9.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.81 164.96 32.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.234 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 12' ' ' VAL . 33.1 m -112.18 114.02 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.24 125.6 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -138.32 136.62 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.21 -56.25 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HB3' HG11 ' A' ' 38' ' ' VAL . 55.5 mt-10 -124.19 90.14 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.408 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 5.0 mmm -116.97 150.51 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 40' ' ' HIS . 43.1 t -69.05 149.8 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.43 2.59 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -130.0 -27.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 m -111.04 -26.37 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HB3' ' A' ' 17' ' ' MET . 12.2 mm-40 55.23 45.12 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.37 147.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -118.43 164.75 14.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 2.9 m -135.44 146.88 48.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.94 -58.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -56.85 -178.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.66 138.48 56.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.755 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.3 tt -97.88 140.66 31.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.853 ' CE2' ' HB3' ' A' ' 62' ' ' ALA . 3.5 m-85 -82.8 154.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.75 -50.76 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.389 -0.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.85 177.04 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' VAL . 14.5 ttm180 -95.06 -69.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 35' ' ' CYS . 7.2 p -33.9 -46.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.502 ' N ' HG13 ' A' ' 34' ' ' VAL . 16.3 m -62.47 106.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.641 ' O ' HG13 ' A' ' 38' ' ' VAL . 70.2 m -41.23 -64.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -55.35 108.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.755 ' HB ' HD22 ' A' ' 29' ' ' LEU . 3.2 m -109.41 130.82 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 44' ' ' LEU . 1.1 p90 -150.24 126.33 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 41' ' ' ASP . 5.7 m170 -61.88 102.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 44' ' ' LEU . 13.6 p-10 -31.76 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -59.51 -60.05 9.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.68 -37.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 41' ' ' ASP . 60.8 mt -57.99 -52.27 66.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -72.87 -32.31 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -65.02 -57.22 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.6 tpp -67.91 -53.43 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.89 67.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -122.54 -41.14 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt -74.88 -67.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' GLY . 12.7 tt0 -172.89 150.2 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' GLN . . . -33.47 99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.559 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -81.56 40.57 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 m -108.53 -40.95 4.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.66 5.1 10.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.73 133.37 55.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -118.22 101.04 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.9 t -110.25 139.08 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.7 m -120.76 115.72 23.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -99.21 106.78 18.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.809 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.2 mtp -96.03 81.72 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.853 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -88.68 -42.22 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.062 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' THR . 10.8 t-80 -46.4 -60.55 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' HIS . 26.4 p -33.96 124.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' THR . 17.3 mt-10 -38.93 144.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 65' ' ' GLU . 69.2 p 34.27 38.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.66 -124.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -106.43 133.02 51.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.769 0.319 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -86.25 141.29 29.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 p -57.33 170.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -77.04 -45.62 26.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -83.13 48.74 1.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.73 178.23 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -112.39 -40.5 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -82.84 38.09 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.9 mt -79.31 112.72 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -127.66 -49.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 tp -128.0 124.81 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 80' ' ' LEU . 10.9 tp -124.81 80.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' LEU . 25.6 tp 36.22 42.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.971 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.4 m -148.11 145.83 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' HG2' ' CD ' ' A' ' 83' ' ' GLU . 1.5 pm0 -123.71 -31.67 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' CD ' ' HG2' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -84.67 137.98 32.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 m -56.25 135.06 53.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.06 79.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.716 2.277 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 m -74.9 60.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 t -149.29 123.63 9.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.519 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -129.43 111.24 12.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -113.45 121.17 43.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.22 55.29 0.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -123.8 40.57 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.792 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -122.98 113.11 18.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.87 88.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 0.65 5.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.729 2.286 . . . . 0.0 112.288 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -108.49 81.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -143.38 124.91 8.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -177.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -145.67 137.5 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.69 142.37 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -144.51 133.37 22.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.3 -55.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.649 ' HB3' HG21 ' A' ' 38' ' ' VAL . 48.8 mt-10 -131.36 102.21 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.412 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 8.7 mmt -107.63 123.09 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -45.73 147.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -79.96 -0.67 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.51 -21.75 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 23' ' ' VAL . 30.6 m -121.9 -23.04 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' C ' ' HB3' ' A' ' 17' ' ' MET . 38.9 mt-10 59.0 37.17 24.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 24' ' ' TRP . 85.0 t -138.84 153.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.59 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.0 p-90 -118.74 -178.1 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.59 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 10.1 p -153.56 146.62 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.71 -41.91 64.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -70.32 175.98 4.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 p -59.5 129.87 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.68 HD22 ' HB ' ' A' ' 38' ' ' VAL . 3.8 tt -98.81 128.53 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' N ' HD23 ' A' ' 29' ' ' LEU . 2.1 m-85 -82.34 153.11 68.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.76 -51.41 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.364 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.1 p -135.35 -174.82 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 7.6 tpp85 -107.0 -55.06 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' ARG . 15.5 m -35.55 -40.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 89.9 m -78.85 109.74 13.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 m -41.53 -45.29 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -71.43 106.67 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.68 ' HB ' HD22 ' A' ' 29' ' ' LEU . 27.6 m -105.39 135.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CD2' HD21 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -151.39 122.76 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.09 141.41 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.564 ' HA ' HD12 ' A' ' 44' ' ' LEU . 4.0 m-20 -59.65 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.9 -21.6 31.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -79.0 -38.33 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.679 HD21 ' CD2' ' A' ' 39' ' ' PHE . 6.1 mt -68.44 -43.98 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.94 -35.48 80.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -55.48 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 19.7 mmm -66.82 -39.49 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.33 58.42 0.58 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.85 -21.63 12.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.612 HD12 ' HG3' ' A' ' 51' ' ' GLN . 1.1 pp -129.9 -34.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.612 ' HG3' HD12 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -177.36 137.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' OE1' ' A' ' 51' ' ' GLN . . . -58.09 -176.24 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -86.08 46.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -134.95 93.64 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -175.12 122.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.57 5.71 10.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -116.39 44.19 2.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.8 m -104.02 138.51 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.8 m -144.56 105.76 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -165.29 166.26 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.6 mtm -126.57 113.42 16.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.47 -60.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -38.11 -54.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.0 p -43.36 147.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -54.75 144.68 21.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.9 p 38.39 40.01 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.13 -101.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.473 ' CE2' ' O ' ' A' ' 69' ' ' SER . 32.8 t-105 -102.13 145.29 29.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.473 ' O ' ' CE2' ' A' ' 68' ' ' TRP . 39.7 m -87.71 137.91 31.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.2 167.36 12.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -67.77 -39.87 84.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -87.28 37.71 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.59 175.69 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.24 101.03 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -143.57 158.36 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 76' ' ' ILE . 5.1 mp -61.99 93.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.52 94.32 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -44.7 138.56 3.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 162.44 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 81' ' ' THR . 7.5 tt -139.48 142.63 37.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.434 ' N ' HD23 ' A' ' 80' ' ' LEU . 22.2 m -67.96 102.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -168.69 127.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -133.32 79.84 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.2 m -142.9 109.9 5.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 86' ' ' PRO . . . 170.09 106.53 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 85' ' ' GLY . 54.1 Cg_endo -69.82 110.04 2.47 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 m 46.02 40.84 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 t -87.38 122.92 31.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -98.37 141.07 31.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 p -46.59 141.85 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.5 -175.5 16.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -126.59 91.91 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -146.8 131.36 17.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.88 -156.27 23.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.76 7.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.743 2.295 . . . . 0.0 112.321 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -106.42 126.88 52.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -102.89 118.48 58.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 114.36 3.69 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 0.0 112.398 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.482 ' O ' HG12 ' A' ' 12' ' ' VAL . 13.8 t -113.12 44.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG21 ' CG ' ' A' ' 24' ' ' TRP . 23.9 m -143.47 120.27 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -133.44 -45.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.5 -36.36 65.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.543 ' HB2' HG11 ' A' ' 38' ' ' VAL . 7.4 pt-20 -83.97 96.15 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.5 mtp -139.97 139.36 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -52.17 135.07 32.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -75.53 4.05 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.3 -27.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.508 ' O ' HG13 ' A' ' 23' ' ' VAL . 60.6 m -114.74 -22.95 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 53.97 35.9 23.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 21' ' ' CYS . 33.4 m -141.58 170.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CG ' HG21 ' A' ' 13' ' ' VAL . 8.4 p-90 -128.55 171.57 11.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 22.6 p -142.65 146.96 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -43.03 -37.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.4 176.96 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 p -68.11 136.4 53.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.21 106.08 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.3 m-85 -82.58 151.57 65.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.84 -171.53 6.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.35 0.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' PRO . 1.8 p -45.24 173.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' VAL . 22.2 ttp180 -74.52 -52.85 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ARG . 66.0 t -28.08 -42.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ARG . 1.3 p -86.22 90.15 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' CYS . 9.6 t -33.09 -42.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' HG23 ' A' ' 36' ' ' THR . 20.1 ptt-85 -64.06 112.59 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 16' ' ' GLU . 34.6 m -112.44 126.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 31' ' ' PRO . 2.2 p90 -150.01 127.5 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 42' ' ' GLY . 29.7 m170 -54.51 101.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 31.5 t0 -33.61 -34.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -70.72 -55.48 8.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.528 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.7 m -40.93 -39.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 39' ' ' PHE . 38.0 mt -57.91 -45.39 86.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 5.8 ptm180 -78.31 -30.57 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -69.12 -41.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.5 tpp -94.76 -41.68 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.24 85.82 1.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -129.39 -41.06 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.746 HD13 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -101.76 -29.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -158.75 -175.59 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.96 43.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.62 121.15 15.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -88.78 48.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.73 5.14 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.96 158.03 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.65 40.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.8 t -51.87 107.78 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.4 t -75.36 171.28 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -88.99 112.05 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.3 mmt -116.0 39.88 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.87 -49.78 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -95.83 53.03 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.0 p -136.97 177.27 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -38.94 -65.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 73.3 m -86.32 93.14 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.14 150.49 42.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -110.28 140.71 44.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.3 p -78.66 147.35 33.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.37 152.97 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -44.4 -52.02 8.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -80.44 -50.96 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.44 132.71 54.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 75' ' ' ASN . 24.7 t0 -168.85 121.52 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' ASP . 16.5 t-20 -34.05 -51.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.3 pt -105.57 172.55 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -88.99 96.51 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 79' ' ' LEU . 13.0 tp -79.12 155.73 28.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.426 ' N ' ' HG ' ' A' ' 78' ' ' LEU . 1.8 pt? -137.73 168.01 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 tp -150.47 139.26 20.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.2 t -101.32 142.4 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -123.93 84.61 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -126.69 84.5 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.2 p -145.96 173.63 11.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.15 93.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 110.28 2.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.0 t -53.83 121.51 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t -58.5 177.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.472 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -165.85 131.42 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -155.36 167.86 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.55 -164.04 19.28 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -104.18 169.28 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -40.89 115.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.33 89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.12 2.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.616 2.211 . . . . 0.0 112.394 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -106.87 85.29 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -167.03 119.49 0.77 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.661 0.743 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.763 2.309 . . . . 0.0 112.253 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.5 134.39 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.6 t -97.3 116.46 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB3' ' HE2' ' A' ' 17' ' ' MET . 3.7 t-20 -173.51 149.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -86.93 -51.87 5.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -62.04 109.01 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.498 ' HE2' ' HB3' ' A' ' 14' ' ' ASN . 8.7 mmt -143.3 109.5 5.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' GLU . 42.5 t -48.72 137.14 12.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.06 2.77 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 43' ' ' CYS . 2.6 t -129.32 -27.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.771 ' O ' HG23 ' A' ' 23' ' ' VAL . 26.1 m -120.58 -19.29 7.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.3 mt-10 50.86 45.62 27.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 21' ' ' CYS . 21.6 t -138.02 155.0 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.2 p-90 -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 24' ' ' TRP . 17.9 p -156.18 142.67 18.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -51.77 -34.72 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.65 175.41 7.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -63.74 125.08 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.748 HD22 ' HB ' ' A' ' 38' ' ' VAL . 2.7 tt -100.04 129.09 46.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -91.14 154.09 44.85 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.87 -51.16 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.317 0.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 p -163.04 149.65 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.484 ' H ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -87.62 21.85 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.1 t -113.36 -19.72 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 m -86.51 30.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 36' ' ' THR . 7.2 m 39.93 34.94 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -172.96 141.47 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.748 ' HB ' HD22 ' A' ' 29' ' ' LEU . 18.1 m -136.83 130.75 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 44' ' ' LEU . 1.3 p90 -150.87 116.28 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -46.7 109.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -39.98 -39.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.34 99.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.487 ' HB3' HG21 ' A' ' 20' ' ' VAL . 16.0 m -58.56 -45.37 89.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 39' ' ' PHE . 56.8 mt -64.5 -56.99 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.45 -24.67 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -67.78 -61.85 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.4 mtm -60.01 -41.04 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.12 51.74 0.81 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -103.4 -42.26 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 pt -90.35 62.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -175.84 155.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.88 52.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -168.66 167.26 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.5 p -47.16 119.58 2.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.32 116.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 57' ' ' GLU . . . -168.87 162.31 11.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 56' ' ' ALA . 9.0 mp0 31.73 42.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 58' ' ' VAL . 34.3 m -82.96 123.56 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.2 t -87.82 149.19 24.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -130.66 -33.86 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.9 mtp -123.16 98.9 6.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.3 -56.13 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -57.61 91.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.6 p -147.01 176.08 10.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.3 -53.36 59.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 t -87.94 -17.58 30.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.0 -163.43 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.409 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -129.67 138.33 51.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 m -80.48 143.49 33.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 31' ' ' PRO . 2.3 m -71.49 146.25 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -43.63 -35.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 72' ' ' TYR . 28.0 p90 -126.44 44.99 2.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.96 131.71 34.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.15 118.73 31.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -170.27 178.55 3.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.9 pt -89.6 178.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -104.8 115.86 31.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.1 tp -86.78 -42.23 13.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 pp -123.93 169.65 11.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.26 122.24 29.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.2 t -158.82 130.7 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -134.1 97.21 3.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -116.99 71.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.2 m -91.75 87.27 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.91 65.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.01 38.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 t -157.94 144.83 17.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 m -163.53 132.24 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.475 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m 59.35 43.17 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 m -46.03 -52.52 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 142.85 -48.6 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.441 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.9 t -36.24 113.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -163.74 130.23 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.96 -65.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.79 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.763 2.308 . . . . 0.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.8 ttp85 -62.37 124.25 20.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -138.69 121.52 10.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 116.28 4.48 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.266 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.64 142.0 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -104.85 141.81 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -128.3 148.21 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -92.69 -56.19 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' HG11 ' A' ' 38' ' ' VAL . 6.1 mm-40 -84.64 99.53 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' HG21 ' A' ' 38' ' ' VAL . 11.4 mmm -134.15 122.51 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 22' ' ' GLU . 47.3 t -43.47 132.75 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.03 -1.1 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.45 -32.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -110.14 -29.63 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' CYS . 51.0 mt-10 61.17 45.42 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.43 129.51 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.428 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.5 p-90 -97.12 173.48 7.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 p -149.34 145.99 27.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.42 -39.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 173.79 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 t -61.29 134.9 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.61 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.8 tt -99.0 127.49 44.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.0 m-85 -83.53 153.67 65.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.789 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.85 -51.43 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.355 0.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.1 -177.1 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -105.68 -34.42 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 22.4 m -59.62 -40.8 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 3.4 p -79.95 100.22 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 55.1 m -33.39 -56.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -57.98 103.78 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.61 ' HB ' HD22 ' A' ' 29' ' ' LEU . 29.1 m -104.24 132.81 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 0.8 OUTLIER -150.82 120.57 7.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -59.31 122.06 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.4 t70 -40.85 -51.61 3.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ARG . . . -56.4 -57.59 18.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -38.17 -32.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 41' ' ' ASP . 14.5 mt -63.74 -48.26 77.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' CZ ' ' O ' ' A' ' 58' ' ' VAL . 8.8 ptt85 -78.23 -33.9 49.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.36 -39.81 94.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.2 tpp -93.58 -58.22 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.48 73.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -119.23 -40.97 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.483 HG13 ' N ' ' A' ' 51' ' ' GLN . 45.7 pt -112.9 -38.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.483 ' N ' HG13 ' A' ' 50' ' ' ILE . 4.0 tp60 -159.57 119.34 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.47 78.77 1.95 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -127.52 83.98 2.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 2.8 m -79.91 162.81 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . 67.22 24.9 9.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.12 130.57 55.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.33 85.24 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.463 ' O ' ' CZ ' ' A' ' 45' ' ' ARG . 89.8 t -145.39 130.76 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.9 m -114.67 -44.36 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 65.33 36.69 6.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 97.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.08 147.52 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.476 ' HB3' ' C ' ' A' ' 66' ' ' THR . 1.8 t60 -47.76 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 63' ' ' HIS . 22.3 p -32.81 -43.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.614 ' OE1' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -74.73 -73.38 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.614 HG23 ' OE1' ' A' ' 65' ' ' GLU . 63.8 p -143.95 111.26 5.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.94 -90.88 0.11 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -71.61 141.4 49.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.1 m -103.47 113.03 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.498 ' SG ' ' CG ' ' A' ' 31' ' ' PRO . 16.4 m -57.64 165.5 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -47.41 -44.83 24.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 72' ' ' TYR . 2.4 p90 -111.82 40.29 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.487 ' HB2' ' N ' ' A' ' 70' ' ' CYS . 2.5 m -127.2 39.62 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -111.71 127.88 55.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -121.16 -45.32 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.2 pt -46.98 132.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -109.03 91.81 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 tp -126.83 139.19 53.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt -81.31 48.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 81' ' ' THR . 15.9 mt -40.42 143.84 0.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' LEU . 76.0 p -34.31 121.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -126.21 124.04 39.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -121.93 40.44 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.4 t -163.32 107.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.407 ' HA2' ' HD2' ' A' ' 86' ' ' PRO . . . 140.45 104.37 0.57 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HD2' ' HA2' ' A' ' 85' ' ' GLY . 54.2 Cg_endo -69.72 3.12 2.93 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.622 2.215 . . . . 0.0 112.399 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.1 m -96.0 128.7 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLY . 40.7 t -78.71 -48.39 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.386 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -114.07 115.1 27.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -166.17 138.89 3.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.51 -87.24 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -54.22 139.98 34.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -82.7 47.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.21 112.33 0.23 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -1.72 8.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.289 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -111.12 126.6 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.594 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 19.3 mt-10 -51.61 -55.1 32.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.652 0.739 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.4 Cg_endo -69.77 153.98 68.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.2 m -77.05 159.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.581 HG23 ' OD1' ' A' ' 14' ' ' ASN . 33.6 m -146.54 154.08 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' A' ' 13' ' ' VAL . 7.2 p-10 36.67 47.77 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.17 -3.25 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.827 ' HB2' HG21 ' A' ' 38' ' ' VAL . 4.4 pt-20 -137.87 119.55 15.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 16' ' ' GLU . 8.1 mmt -139.58 116.8 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' GLU . 49.8 t -43.46 144.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.815 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -76.41 -2.98 34.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.63 -22.39 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.895 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 m -124.85 -15.89 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 13.7 pt-20 44.21 48.55 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 21' ' ' CYS . 48.3 t -137.35 151.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.461 ' O ' HG23 ' A' ' 25' ' ' THR . 6.1 p-90 -118.83 -177.43 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 24' ' ' TRP . 17.8 p -157.36 143.37 17.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.3 -37.47 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.69 177.04 7.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.71 137.7 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 30' ' ' PHE . 1.6 tt -111.01 131.4 55.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -82.64 153.27 67.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.787 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.56 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 54.3 Cg_endo -69.68 -51.96 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.396 -0.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.9 p -136.68 177.27 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -25.36 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.67 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.6 m -40.77 150.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -84.11 35.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -155.75 126.24 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 16' ' ' GLU . 16.0 m -119.85 129.66 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.9 p90 -151.04 133.58 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 3.7 m170 -72.33 124.38 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -45.61 -56.47 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.28 -44.24 14.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.9 m -61.36 -33.25 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.738 ' HB2' HD11 ' A' ' 50' ' ' ILE . 87.9 mt -67.0 -52.14 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.69 -29.75 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -61.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.65 -54.51 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.81 50.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -104.94 -36.25 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' ' 44' ' ' LEU . 1.8 mt -89.49 -70.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' ILE . 15.2 tt0 35.16 42.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.7 87.86 1.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -44.1 -43.7 7.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.1 m -90.45 140.96 29.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.16 136.81 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 175.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -95.53 41.41 1.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' THR . 22.7 m -82.41 -24.62 8.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 59' ' ' THR . 18.7 m 34.36 44.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -127.59 170.22 12.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.543 ' HA ' ' CE3' ' A' ' 68' ' ' TRP . 25.8 ptm -172.1 156.65 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.46 164.24 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 70.87 38.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.6 p -134.18 -179.44 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -63.79 -51.58 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.5 t -75.51 -26.02 57.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.65 -167.06 44.01 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.543 ' CE3' ' HA ' ' A' ' 61' ' ' MET . 63.1 t-105 -107.79 137.73 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.1 t -115.84 108.34 16.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.423 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . 0.8 OUTLIER -53.68 177.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -72.71 -38.9 67.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -93.65 32.06 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.67 34.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 59.08 47.47 11.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -145.4 177.29 8.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 76' ' ' ILE . 2.7 pp -110.01 171.83 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -112.49 -62.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.9 tp -92.6 131.23 37.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.636 ' O ' HD22 ' A' ' 80' ' ' LEU . 2.0 tt -118.55 79.64 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 79' ' ' LEU . 4.2 mm? -131.06 162.1 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.43 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 60.8 p -85.42 -36.26 20.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 81' ' ' THR . 18.7 mp0 -159.61 134.1 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -128.48 -59.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.6 m -124.46 71.02 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.84 111.26 0.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -6.85 19.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.1 p -63.29 145.98 54.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.7 p -167.71 132.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.469 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p 45.08 42.28 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -74.73 159.41 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.2 143.5 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -56.48 132.98 52.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -119.4 84.88 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.65 87.82 0.49 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.14 2.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.234 . . . . 0.0 112.373 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -61.18 139.35 58.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -60.86 119.72 47.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 142.71 48.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 14' ' ' ASN . 54.1 t -144.02 142.95 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 13' ' ' VAL . 5.6 p 29.76 38.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 12' ' ' VAL . 84.0 m-20 -90.42 133.51 34.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -116.88 -62.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HB3' HG11 ' A' ' 38' ' ' VAL . 78.8 mt-10 -59.96 102.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mmt -132.89 133.92 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 34.1 t -50.66 153.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -87.77 -9.19 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.21 -13.96 10.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 m -125.51 -31.41 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 62.32 43.36 8.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.602 HG22 ' N ' ' A' ' 24' ' ' TRP . 8.3 p -140.15 168.53 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.602 ' N ' HG22 ' A' ' 23' ' ' VAL . 5.3 p-90 -132.82 171.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.58 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.8 p -143.71 149.5 37.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.4 -39.72 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.13 171.32 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -58.77 141.37 53.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 tp -111.35 119.79 40.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.544 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.8 m-85 -85.81 152.02 56.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.3 Cg_endo -69.79 -175.03 10.27 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.35 0.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' PRO . 4.8 p -32.25 146.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -58.2 -35.86 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 85.2 t -54.63 -32.13 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.6 m -71.2 92.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.1 p -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -78.6 121.14 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 16' ' ' GLU . 18.5 m -109.94 130.37 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -151.2 134.06 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -67.31 133.77 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -36.61 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -67.52 -46.27 70.92 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.28 -31.52 9.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.26 -64.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 26.6 ptt85 -50.01 -37.39 32.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -59.06 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 72.7 mtp -57.92 -47.25 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.4 59.64 0.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -104.34 -46.63 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 51' ' ' GLN . 1.7 mp -55.5 -66.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.476 ' N ' HG22 ' A' ' 50' ' ' ILE . 5.4 pt20 -133.23 -38.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.48 -78.97 0.26 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.392 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.22 146.8 54.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 m -48.58 176.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.78 162.36 38.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.58 -179.71 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -88.08 48.22 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.77 -72.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -135.01 19.24 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -92.65 80.89 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 77.0 mtm -155.42 126.82 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.41 -62.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -70.76 91.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 p -126.73 -58.75 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -126.53 -60.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.5 p -118.18 -47.63 2.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.83 146.89 4.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -100.65 149.17 24.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 m -78.8 116.36 19.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 31' ' ' PRO . 2.9 m -48.85 177.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -60.61 -47.79 84.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -108.05 42.09 1.43 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.5 m -135.0 46.39 2.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -170.22 170.5 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -106.74 -53.13 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.5 mt -85.14 96.31 4.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -89.27 112.08 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 79' ' ' LEU . 33.5 tp -85.78 163.98 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 79' ' ' LEU . 1.8 pp -116.87 137.49 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.47 171.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.8 p -75.38 170.07 16.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.49 105.72 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -165.05 137.05 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -71.43 -51.47 23.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.99 69.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 155.14 66.7 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 p -149.68 123.08 9.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -72.59 158.6 35.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.776 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.058 -0.857 . . . . 0.0 112.533 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.938 0.399 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.7 mtt -113.86 119.82 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' MET . 25.1 t -34.49 140.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.17 -3.92 55.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 20' ' ' VAL . 56.0 t -118.8 -15.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB3' HG22 ' A' ' 23' ' ' VAL . 69.7 m -126.43 -26.44 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 57.83 38.06 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 21' ' ' CYS . 26.8 m -140.9 148.75 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.4 p-90 -118.89 -175.8 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.503 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.8 m -157.73 147.93 20.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -39.72 -60.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.93 176.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -67.76 138.82 56.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.479 HD12 ' H ' ' A' ' 30' ' ' PHE . 23.7 tp -94.38 144.08 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.3 m-85 -91.22 153.92 44.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.77 -48.84 0.25 Allowed 'Cis proline' 0 C--O 1.233 0.226 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.288 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 m -119.19 176.14 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -94.85 -52.45 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 36' ' ' THR . 94.1 t -61.32 -52.09 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' THR . 33.0 m -46.19 94.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' CYS . 59.2 m -33.1 -57.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -63.24 103.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.32 134.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -151.04 125.27 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -61.46 128.94 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -49.11 -39.53 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.98 82.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.7 -27.47 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD11 ' A' ' 50' ' ' ILE . 20.7 mt -79.44 -59.46 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -55.26 -42.11 73.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.1 mmm -40.95 -55.21 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.86 46.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -105.93 -38.34 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.485 HD11 ' HB2' ' A' ' 44' ' ' LEU . 1.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.185 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.426 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 15.9 mtp -141.99 141.83 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -40.33 133.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -76.94 5.21 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -125.35 -20.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.89 -28.79 4.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 17' ' ' MET . 59.8 mt-10 64.56 44.6 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.99 129.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.417 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.4 p-90 -104.0 170.9 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.9 m -149.38 145.78 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -32.59 -53.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -144.15 176.3 9.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t 74.63 28.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.532 HD21 HG21 ' A' ' 38' ' ' VAL . 9.2 tp -101.49 89.93 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.536 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 8.7 m-85 -86.0 154.48 57.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 -52.01 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.367 -0.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.44 156.68 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -21.25 27.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.61 -20.39 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.1 m -91.74 32.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 36' ' ' THR . 17.0 m 34.01 36.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' CYS . 16.6 tpp180 -175.26 136.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 29' ' ' LEU . 11.6 m -137.61 139.96 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.7 ' HD1' HD11 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -150.37 111.52 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -39.3 114.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.02 -35.88 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.66 80.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.01 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.7 HD11 ' HD1' ' A' ' 39' ' ' PHE . 18.3 mt -68.6 -58.63 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HA ' HD12 ' A' ' 50' ' ' ILE . 19.7 ptt180 -53.15 -39.0 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -63.51 -55.23 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 26.5 mtp -68.46 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 48.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ILE . 18.3 m-85 -92.16 -50.59 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' TYR . 26.8 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.164 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.838 0.352 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.428 ' N ' HG22 ' A' ' 38' ' ' VAL . 3.2 mmt -143.69 124.32 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' GLU . 32.9 t -50.04 141.71 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.33 -6.7 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.02 -28.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 m -113.44 -27.08 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.1 mm-40 53.19 46.94 25.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.89 137.18 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.6 p-90 -110.1 171.19 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.427 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 19.1 p -143.94 143.25 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.28 -38.13 5.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -68.77 172.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -69.42 118.93 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.704 HD22 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -79.79 151.56 30.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.2 m-85 -102.24 153.07 38.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.72 -29.39 5.72 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.399 -0.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' HB2' HG12 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -165.84 146.22 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.35 -35.17 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 35' ' ' CYS . 12.4 p -32.18 -45.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.532 ' N ' HG13 ' A' ' 34' ' ' VAL . 2.4 p -81.39 120.9 25.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 47.6 m -34.43 -58.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -72.3 142.25 48.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HD22 ' A' ' 29' ' ' LEU . 34.3 m -128.99 141.25 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' A' ' 44' ' ' LEU . 2.1 p90 -150.89 117.78 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.6 ' CD2' HD21 ' A' ' 29' ' ' LEU . 28.1 m170 -59.76 106.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -38.88 -36.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -64.6 -46.53 89.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.6 m -54.19 -45.78 72.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.415 HD11 ' CD1' ' A' ' 39' ' ' PHE . 27.7 mt -64.26 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 8.3 ptm180 -50.55 -36.18 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -61.67 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 25.5 mtp -57.19 -49.72 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.58 37.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.446 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -89.51 -41.08 12.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.2 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB2' HG11 ' A' ' 38' ' ' VAL . 5.1 pt-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 16.3 mmm -127.49 129.62 47.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.1 t -48.4 139.34 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -77.25 1.59 18.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.65 -23.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HG13 ' A' ' 23' ' ' VAL . 43.8 m -120.17 -21.22 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 52.43 44.71 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 21' ' ' CYS . 28.9 m -139.68 155.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.2 p-90 -123.12 172.98 8.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.4 p -145.82 148.83 33.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.77 -38.8 64.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.68 177.92 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -68.6 140.01 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.643 HD11 ' CD2' ' A' ' 40' ' ' HIS . 21.9 tp -108.05 158.68 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.9 m-85 -115.53 155.56 47.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.85 -51.47 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' O ' HG12 ' A' ' 38' ' ' VAL . 1.5 p -127.1 170.7 12.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -23.4 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.34 -40.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 m -59.94 149.99 30.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 p -81.95 37.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -173.7 111.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HB ' HD23 ' A' ' 29' ' ' LEU . 35.8 m -106.6 141.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -150.9 113.55 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.643 ' CD2' HD11 ' A' ' 29' ' ' LEU . 25.8 m170 -48.69 148.42 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -77.69 -36.01 51.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 -10.55 81.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.3 -49.32 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD11 ' HD2' ' A' ' 39' ' ' PHE . 41.6 mt -54.68 -38.74 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 7.4 ptp180 -68.81 -37.18 79.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.5 tmt_? -78.03 -68.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.6 tmm? -35.62 -56.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.59 60.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -123.27 -70.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HB3' HG11 ' A' ' 38' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.88 0.372 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.5 mmt -116.21 116.8 28.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 41.6 t -47.3 142.52 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.98 -3.16 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 43' ' ' CYS . 80.2 t -123.6 -30.63 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.487 ' O ' HG13 ' A' ' 23' ' ' VAL . 25.6 m -111.2 -21.96 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' CYS . 45.6 mt-10 52.22 43.23 30.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 21' ' ' CYS . 27.4 m -140.68 165.25 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 8.3 p-90 -130.02 173.11 11.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.444 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 9.5 p -142.01 148.04 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.7 -41.19 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -73.96 174.08 9.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 m -58.98 127.25 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.701 HD22 ' HB ' ' A' ' 38' ' ' VAL . 2.3 tt -95.82 144.39 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.666 ' N ' HD23 ' A' ' 29' ' ' LEU . 5.7 m-85 -90.54 153.09 45.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.55 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.75 -47.04 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.411 -0.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.87 -177.16 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HD3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -116.64 -24.12 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.468 HG23 ' HD3' ' A' ' 33' ' ' ARG . 88.2 t -69.83 -48.92 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' THR . 97.2 m -66.91 112.08 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.425 ' O ' HG13 ' A' ' 38' ' ' VAL . 36.6 p -37.63 -59.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -59.6 121.35 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.708 HG11 ' HB3' ' A' ' 16' ' ' GLU . 19.9 m -118.12 139.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -149.89 112.4 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CD2' HD21 ' A' ' 29' ' ' LEU . 22.9 m170 -54.06 111.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.75 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -41.13 -31.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.81 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.3 -58.0 7.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.424 ' HB3' HG21 ' A' ' 20' ' ' VAL . 58.2 m -43.95 -40.11 4.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 41' ' ' ASP . 10.0 mt -60.98 -58.62 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.1 -26.28 62.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.68 -61.14 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.407 ' CE ' ' CE2' ' A' ' 49' ' ' TYR . 30.1 mtm -79.07 -55.06 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.63 53.01 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.407 ' CE2' ' CE ' ' A' ' 47' ' ' MET . 14.0 m-85 -93.48 -44.48 8.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.929 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.414 ' C ' HD12 ' A' ' 50' ' ' ILE . 2.5 pp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.36 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.486 ' C ' HG23 ' A' ' 38' ' ' VAL . 17.3 mtp -133.56 146.31 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.86 150.24 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.17 0.8 50.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -127.36 -27.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' O ' HG13 ' A' ' 23' ' ' VAL . 46.1 m -110.97 -23.82 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' C ' ' HB3' ' A' ' 17' ' ' MET . 28.7 mt-10 56.15 41.54 29.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 21' ' ' CYS . 33.1 m -136.67 147.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.5 p-90 -120.23 176.59 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.555 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 15.1 p -150.38 151.62 33.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -57.13 -37.29 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -74.12 177.49 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -66.3 125.36 25.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.799 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.4 tt -92.56 140.1 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.3 m-85 -82.8 152.33 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.568 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.79 -50.43 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.271 0.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -140.92 -176.42 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 3.2 ptm180 -104.06 -33.87 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.459 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 97.2 t -45.45 -69.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.9 m -39.35 157.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.5 p -90.9 44.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -174.88 160.59 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.561 ' HB ' HD22 ' A' ' 29' ' ' LEU . 16.5 m -135.21 132.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CD1' HD11 ' A' ' 44' ' ' LEU . 2.6 p90 -151.39 122.87 7.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CD2' HD21 ' A' ' 29' ' ' LEU . 12.5 m170 -71.67 122.63 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -46.38 -46.62 18.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.9 -25.48 59.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.365 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 m -80.27 -33.75 37.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.616 HD11 ' CD1' ' A' ' 39' ' ' PHE . 80.3 mt -77.9 -43.66 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -58.39 -30.85 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -66.26 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.9 mmm -61.36 -54.19 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.04 48.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -94.0 -37.92 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.099 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.863 0.363 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -132.39 118.99 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' HA ' HG23 ' A' ' 38' ' ' VAL . 36.5 t -51.44 144.09 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 37' ' ' ARG . 72.0 m-20 -77.26 -4.64 45.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.13 -26.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m -115.59 -26.65 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.2 mm-40 51.4 48.6 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.49 135.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -99.68 167.72 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.496 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.7 p -139.56 148.28 42.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -47.88 -38.96 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.45 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -78.16 130.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.713 HD23 ' HB ' ' A' ' 38' ' ' VAL . 6.3 tp -83.54 161.21 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.0 m-85 -119.37 153.82 53.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 52.6 Cg_endo -69.8 -38.47 1.62 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.236 0.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.64 ' HB2' HG22 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -157.74 140.3 14.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.2 ppt_? -77.77 -30.98 51.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG22 ' HB2' ' A' ' 32' ' ' CYS . 33.3 m -35.62 -39.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.9 p -86.82 122.81 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 87.7 m -35.87 -62.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.496 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 33.2 ttt-85 -72.85 119.99 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.713 ' HB ' HD23 ' A' ' 29' ' ' LEU . 33.7 m -110.34 145.16 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.556 ' HD1' HD11 ' A' ' 44' ' ' LEU . 1.8 p90 -150.63 111.28 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.697 ' NE2' HD11 ' A' ' 29' ' ' LEU . 46.1 m170 -50.56 138.32 17.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.03 -35.11 79.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -71.08 -34.45 64.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.14 -50.21 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.556 HD11 ' HD1' ' A' ' 39' ' ' PHE . 16.0 mt -55.33 -57.61 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 23.3 ptt180 -52.75 -35.24 55.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 6.7 tmm_? -71.72 -70.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.1 mmm -47.83 -38.67 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.5 69.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -122.57 -46.74 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' HG21 ' A' ' 38' ' ' VAL . 19.3 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mmm -107.81 126.96 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.8 t -41.24 149.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.0 -0.73 56.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.534 HG21 ' CE ' ' A' ' 47' ' ' MET . 91.8 t -125.54 -16.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 59.2 m -123.36 -29.38 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.36 42.42 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 m -146.96 142.35 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.4 p-90 -113.35 176.92 4.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.551 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.3 p -149.08 149.72 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.131 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -49.78 -40.34 41.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.49 175.58 4.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m -66.1 133.8 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.468 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.6 tt -99.08 132.55 44.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.6 m-85 -83.52 151.99 63.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.74 -50.7 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.327 -0.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.24 -178.01 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -113.18 -26.47 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.09 -34.72 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 36' ' ' THR . 98.9 m -87.49 106.09 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.7 m -32.01 -45.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -67.46 101.22 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HB ' HD22 ' A' ' 29' ' ' LEU . 28.2 m -106.07 129.16 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -151.34 123.88 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -49.96 152.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.53 -37.93 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -68.93 -50.27 36.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.8 m -40.28 -42.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 50' ' ' ILE . 21.7 mt -60.3 -64.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 43.1 ptt85 -53.31 -35.84 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -54.08 -49.05 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.534 ' CE ' HG21 ' A' ' 20' ' ' VAL . 55.6 mtm -84.34 -54.99 4.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.45 58.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -110.98 -38.98 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.484 HD11 ' HB2' ' A' ' 44' ' ' LEU . 15.8 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.526 ' C ' HG21 ' A' ' 38' ' ' VAL . 9.2 tt0 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.89 0.376 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 mtp -108.4 133.51 52.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 41.7 t -50.54 143.13 9.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.94 0.1 36.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.72 -21.05 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -121.22 -27.46 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 62.02 46.87 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -148.05 141.45 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.7 p-90 -112.31 179.98 3.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.552 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 m -155.58 150.3 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -42.53 -60.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.47 169.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -66.46 125.55 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 30' ' ' PHE . 1.6 tt -80.9 133.23 35.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 7.8 m-85 -84.18 151.86 60.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.79 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.398 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -130.54 -179.69 5.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -116.5 -23.45 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.31 -59.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.1 m -41.57 145.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -78.19 45.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -174.46 113.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.526 HG21 ' C ' ' A' ' 16' ' ' GLU . 29.5 m -108.2 129.96 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 39' ' ' PHE . 1.1 p90 -151.18 127.57 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -53.29 159.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -83.68 -26.85 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.27 -24.37 54.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.442 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.25 -33.21 75.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.79 -51.85 13.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -61.07 -40.63 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 7.0 tmm_? -59.29 -59.07 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 46.9 mtp -63.14 -52.74 61.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.41 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -91.46 -43.07 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 pt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.875 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' C ' HG21 ' A' ' 38' ' ' VAL . 75.7 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.765 0.317 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.416 ' HB2' ' N ' ' A' ' 23' ' ' VAL . 5.8 ptp -134.72 143.22 47.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.0 t -41.09 134.81 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.25 3.33 18.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.68 -20.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -119.94 -24.9 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 62.79 44.24 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.416 ' N ' ' HB2' ' A' ' 17' ' ' MET . 5.4 m -137.85 135.16 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.0 p-90 -113.81 -179.91 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.543 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.0 p -152.22 150.69 30.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -55.24 -39.42 69.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.92 175.37 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -66.44 121.29 14.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.6 tt -83.56 141.19 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' N ' HD23 ' A' ' 29' ' ' LEU . 4.3 m-85 -84.98 153.73 60.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.76 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.28 0.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.61 166.73 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -99.55 -30.23 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.47 -51.93 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.8 m -58.82 110.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -44.2 -26.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -91.85 107.22 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.727 ' HB ' HD22 ' A' ' 29' ' ' LEU . 34.9 m -109.5 132.84 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.813 ' CD1' HD11 ' A' ' 44' ' ' LEU . 1.6 p90 -150.0 130.7 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 33.5 m170 -59.09 106.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -35.72 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -69.96 -54.71 10.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.8 m -46.27 -33.8 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.813 HD11 ' CD1' ' A' ' 39' ' ' PHE . 20.4 mt -69.07 -59.95 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 4.2 ptm180 -56.03 -36.32 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.99 -61.15 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.9 mmm -50.13 -60.04 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.46 55.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' ILE . 73.9 m-85 -112.94 -70.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.932 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' TYR . 2.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.9 mmt -144.11 123.93 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.2 t -58.19 145.94 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.97 -1.03 30.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 43' ' ' CYS . 21.9 t -126.4 -25.51 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 27.4 m -116.63 -21.47 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 7.9 pt-20 43.89 42.28 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.19 147.84 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.0 p-90 -116.83 -176.33 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.558 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.3 m -159.57 148.5 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.53 -54.88 2.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.1 176.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -67.92 146.83 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.847 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.2 tt -106.3 147.98 28.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.7 m-85 -90.06 154.82 47.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.75 -51.28 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.22 0 C-N-CA 122.769 -1.763 . . . . 0.0 112.293 0.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 p -122.23 -172.78 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.8 -24.15 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' CYS . 75.5 t -69.15 -66.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' VAL . 19.1 m -29.57 134.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.5 m -56.37 -47.34 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -93.6 156.57 16.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.847 ' HB ' HD22 ' A' ' 29' ' ' LEU . 35.0 m -131.68 135.25 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -150.33 121.84 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 5.5 m170 -60.35 100.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 40' ' ' HIS . 68.4 m-20 -32.63 -42.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.17 -55.38 30.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.508 ' HB3' HG21 ' A' ' 20' ' ' VAL . 6.8 m -39.62 -41.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 6.0 ptp180 -81.1 -34.31 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.3 tpp -98.91 -46.48 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.05 77.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.0 -46.4 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 pt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.587 ' CG ' HG11 ' A' ' 38' ' ' VAL . 5.0 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.348 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.41 117.62 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -45.54 138.09 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 4.11 5.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.15 -29.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -112.34 -24.87 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 56.92 38.87 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -150.65 153.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.481 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.5 p-90 -116.86 -176.02 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.0 m -157.67 145.76 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -37.04 -60.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -48.35 173.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -74.28 125.74 29.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.672 HD23 ' HB ' ' A' ' 38' ' ' VAL . 13.8 tp -79.64 145.97 32.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 2.9 m-85 -103.07 154.39 37.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.75 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.299 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.83 177.04 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -22.07 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.2 t -71.29 -51.04 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.183 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.9 m -54.11 110.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 31.6 p -33.02 -57.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -74.67 122.84 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.672 ' HB ' HD23 ' A' ' 29' ' ' LEU . 33.8 m -115.35 141.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.661 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -150.75 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.503 ' NE2' HD11 ' A' ' 29' ' ' LEU . 26.7 m170 -48.48 116.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -41.27 -36.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.59 -56.75 9.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -38.93 -36.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.661 HD11 ' HD2' ' A' ' 39' ' ' PHE . 18.2 mt -65.87 -53.21 42.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 14.0 ptt180 -64.67 -33.26 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 3.6 tmt_? -68.57 -65.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.9 mmm -54.97 -46.55 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.79 62.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -115.4 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' HD13 ' A' ' 29' ' ' LEU . 43.3 mp0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.857 0.361 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 mmt -105.88 116.0 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.82 145.82 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.27 0.48 19.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -128.29 -26.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 33.2 m -114.51 -20.85 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 51.96 40.86 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 24' ' ' TRP . 5.9 p -144.08 165.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.1 p-90 -127.43 172.73 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 16.7 p -142.92 150.77 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.08 -41.19 62.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.5 173.26 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 p -64.45 122.37 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 30' ' ' PHE . 2.1 tt -85.29 139.25 31.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' N ' HD23 ' A' ' 29' ' ' LEU . 5.1 m-85 -96.85 152.47 38.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.576 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.76 -51.84 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.756 -1.768 . . . . 0.0 112.35 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -138.04 177.34 7.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -95.31 -32.77 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.483 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 99.6 t -54.53 -75.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' THR . 92.5 m -38.13 104.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' CYS . 72.4 p -33.33 -44.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -81.37 123.7 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.484 ' HB ' HD22 ' A' ' 29' ' ' LEU . 30.9 m -119.54 138.96 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 31' ' ' PRO . 2.6 p90 -150.98 136.49 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -70.53 141.12 51.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -61.11 -39.7 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -64.39 -50.78 57.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.469 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.406 ' O ' ' CE ' ' A' ' 47' ' ' MET . 6.2 m -44.31 -51.3 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 12.1 ptt180 -49.4 -27.3 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 1.5 tmt_? -60.55 -58.72 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.406 ' CE ' ' O ' ' A' ' 43' ' ' CYS . 3.5 mpp? -76.2 -43.2 43.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.87 51.5 0.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -95.68 -34.73 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HB3' HG11 ' A' ' 38' ' ' VAL . 55.5 mt-10 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.408 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 5.0 mmm -116.97 150.51 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 40' ' ' HIS . 43.1 t -69.05 149.8 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.43 2.59 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -130.0 -27.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 m -111.04 -26.37 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HB3' ' A' ' 17' ' ' MET . 12.2 mm-40 55.23 45.12 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.37 147.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -118.43 164.75 14.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 2.9 m -135.44 146.88 48.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.94 -58.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -56.85 -178.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.66 138.48 56.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.755 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.3 tt -97.88 140.66 31.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.5 m-85 -82.8 154.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.75 -50.76 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.389 -0.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.85 177.04 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' VAL . 14.5 ttm180 -95.06 -69.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 35' ' ' CYS . 7.2 p -33.9 -46.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.502 ' N ' HG13 ' A' ' 34' ' ' VAL . 16.3 m -62.47 106.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.641 ' O ' HG13 ' A' ' 38' ' ' VAL . 70.2 m -41.23 -64.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -55.35 108.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.755 ' HB ' HD22 ' A' ' 29' ' ' LEU . 3.2 m -109.41 130.82 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 44' ' ' LEU . 1.1 p90 -150.24 126.33 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 41' ' ' ASP . 5.7 m170 -61.88 102.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 44' ' ' LEU . 13.6 p-10 -31.76 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -59.51 -60.05 9.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.68 -37.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 41' ' ' ASP . 60.8 mt -57.99 -52.27 66.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -72.87 -32.31 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -65.02 -57.22 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.6 tpp -67.91 -53.43 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.89 67.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -122.54 -41.14 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.649 ' HB3' HG21 ' A' ' 38' ' ' VAL . 48.8 mt-10 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.412 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 8.7 mmt -107.63 123.09 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -45.73 147.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -79.96 -0.67 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.51 -21.75 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 23' ' ' VAL . 30.6 m -121.9 -23.04 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' C ' ' HB3' ' A' ' 17' ' ' MET . 38.9 mt-10 59.0 37.17 24.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 24' ' ' TRP . 85.0 t -138.84 153.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.59 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.0 p-90 -118.74 -178.1 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.59 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 10.1 p -153.56 146.62 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.71 -41.91 64.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -70.32 175.98 4.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 p -59.5 129.87 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.68 HD22 ' HB ' ' A' ' 38' ' ' VAL . 3.8 tt -98.81 128.53 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' N ' HD23 ' A' ' 29' ' ' LEU . 2.1 m-85 -82.34 153.11 68.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.76 -51.41 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.364 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.1 p -135.35 -174.82 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 7.6 tpp85 -107.0 -55.06 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' ARG . 15.5 m -35.55 -40.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 89.9 m -78.85 109.74 13.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 m -41.53 -45.29 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -71.43 106.67 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.68 ' HB ' HD22 ' A' ' 29' ' ' LEU . 27.6 m -105.39 135.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CD2' HD21 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -151.39 122.76 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.09 141.41 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.564 ' HA ' HD12 ' A' ' 44' ' ' LEU . 4.0 m-20 -59.65 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.9 -21.6 31.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 20.4 m -79.0 -38.33 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.679 HD21 ' CD2' ' A' ' 39' ' ' PHE . 6.1 mt -68.44 -43.98 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.94 -35.48 80.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -55.48 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 19.7 mmm -66.82 -39.49 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.33 58.42 0.58 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.85 -21.63 12.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.543 ' HB2' HG11 ' A' ' 38' ' ' VAL . 7.4 pt-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.5 mtp -139.97 139.36 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -52.17 135.07 32.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -75.53 4.05 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.3 -27.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.508 ' O ' HG13 ' A' ' 23' ' ' VAL . 60.6 m -114.74 -22.95 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 53.97 35.9 23.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 21' ' ' CYS . 33.4 m -141.58 170.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.449 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 8.4 p-90 -128.55 171.57 11.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 22.6 p -142.65 146.96 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -43.03 -37.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.4 176.96 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 p -68.11 136.4 53.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.21 106.08 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.3 m-85 -82.58 151.57 65.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.84 -171.53 6.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.35 0.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' PRO . 1.8 p -45.24 173.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' VAL . 22.2 ttp180 -74.52 -52.85 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ARG . 66.0 t -28.08 -42.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ARG . 1.3 p -86.22 90.15 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' CYS . 9.6 t -33.09 -42.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' HG23 ' A' ' 36' ' ' THR . 20.1 ptt-85 -64.06 112.59 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 16' ' ' GLU . 34.6 m -112.44 126.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 31' ' ' PRO . 2.2 p90 -150.01 127.5 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 42' ' ' GLY . 29.7 m170 -54.51 101.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 31.5 t0 -33.61 -34.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -70.72 -55.48 8.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.528 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.7 m -40.93 -39.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 39' ' ' PHE . 38.0 mt -57.91 -45.39 86.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 5.8 ptm180 -78.31 -30.57 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -69.12 -41.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.5 tpp -94.76 -41.68 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.24 85.82 1.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -129.39 -41.06 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.746 HD13 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 mmt -143.3 109.5 5.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' GLU . 42.5 t -48.72 137.14 12.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.06 2.77 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 43' ' ' CYS . 2.6 t -129.32 -27.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.771 ' O ' HG23 ' A' ' 23' ' ' VAL . 26.1 m -120.58 -19.29 7.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.3 mt-10 50.86 45.62 27.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 21' ' ' CYS . 21.6 t -138.02 155.0 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.2 p-90 -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 24' ' ' TRP . 17.9 p -156.18 142.67 18.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -51.77 -34.72 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.65 175.41 7.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -63.74 125.08 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.748 HD22 ' HB ' ' A' ' 38' ' ' VAL . 2.7 tt -100.04 129.09 46.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -91.14 154.09 44.85 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.87 -51.16 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.317 0.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 p -163.04 149.65 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.484 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -87.62 21.85 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.1 t -113.36 -19.72 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 m -86.51 30.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 36' ' ' THR . 7.2 m 39.93 34.94 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -172.96 141.47 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.748 ' HB ' HD22 ' A' ' 29' ' ' LEU . 18.1 m -136.83 130.75 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 44' ' ' LEU . 1.3 p90 -150.87 116.28 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -46.7 109.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -39.98 -39.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.34 99.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.487 ' HB3' HG21 ' A' ' 20' ' ' VAL . 16.0 m -58.56 -45.37 89.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 39' ' ' PHE . 56.8 mt -64.5 -56.99 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.45 -24.67 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -67.78 -61.85 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.4 mtm -60.01 -41.04 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.12 51.74 0.81 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -103.4 -42.26 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' HG11 ' A' ' 38' ' ' VAL . 6.1 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' HG21 ' A' ' 38' ' ' VAL . 11.4 mmm -134.15 122.51 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 22' ' ' GLU . 47.3 t -43.47 132.75 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.03 -1.1 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.45 -32.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -110.14 -29.63 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' CYS . 51.0 mt-10 61.17 45.42 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.43 129.51 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.428 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.5 p-90 -97.12 173.48 7.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 p -149.34 145.99 27.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.42 -39.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 173.79 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 t -61.29 134.9 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.61 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.8 tt -99.0 127.49 44.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.0 m-85 -83.53 153.67 65.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.789 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.85 -51.43 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.355 0.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.1 -177.1 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -105.68 -34.42 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 22.4 m -59.62 -40.8 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 3.4 p -79.95 100.22 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 55.1 m -33.39 -56.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -57.98 103.78 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.61 ' HB ' HD22 ' A' ' 29' ' ' LEU . 29.1 m -104.24 132.81 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 0.8 OUTLIER -150.82 120.57 7.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -59.31 122.06 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.4 t70 -40.85 -51.61 3.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ARG . . . -56.4 -57.59 18.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -38.17 -32.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 41' ' ' ASP . 14.5 mt -63.74 -48.26 77.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.8 ptt85 -78.23 -33.9 49.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.36 -39.81 94.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.2 tpp -93.58 -58.22 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.48 73.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -119.23 -40.97 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.827 ' HB2' HG21 ' A' ' 38' ' ' VAL . 4.4 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 16' ' ' GLU . 8.1 mmt -139.58 116.8 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' GLU . 49.8 t -43.46 144.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.815 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -76.41 -2.98 34.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.63 -22.39 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.895 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 m -124.85 -15.89 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 13.7 pt-20 44.21 48.55 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 21' ' ' CYS . 48.3 t -137.35 151.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.461 ' O ' HG23 ' A' ' 25' ' ' THR . 6.1 p-90 -118.83 -177.43 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 24' ' ' TRP . 17.8 p -157.36 143.37 17.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.3 -37.47 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.69 177.04 7.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.71 137.7 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 30' ' ' PHE . 1.6 tt -111.01 131.4 55.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.549 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -82.64 153.27 67.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.787 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.56 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 54.3 Cg_endo -69.68 -51.96 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.396 -0.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.9 p -136.68 177.27 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -25.36 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.67 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.6 m -40.77 150.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -84.11 35.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -155.75 126.24 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 16' ' ' GLU . 16.0 m -119.85 129.66 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.9 p90 -151.04 133.58 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 3.7 m170 -72.33 124.38 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -45.61 -56.47 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.28 -44.24 14.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.9 m -61.36 -33.25 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.738 ' HB2' HD11 ' A' ' 50' ' ' ILE . 87.9 mt -67.0 -52.14 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.69 -29.75 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -61.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.65 -54.51 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.81 50.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -104.94 -36.25 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' ' 44' ' ' LEU . 1.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HB3' HG11 ' A' ' 38' ' ' VAL . 78.8 mt-10 . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mmt -132.89 133.92 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 34.1 t -50.66 153.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -87.77 -9.19 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.21 -13.96 10.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 m -125.51 -31.41 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 62.32 43.36 8.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.602 HG22 ' N ' ' A' ' 24' ' ' TRP . 8.3 p -140.15 168.53 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.602 ' N ' HG22 ' A' ' 23' ' ' VAL . 5.3 p-90 -132.82 171.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.58 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.8 p -143.71 149.5 37.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.4 -39.72 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.13 171.32 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -58.77 141.37 53.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 tp -111.35 119.79 40.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.544 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.8 m-85 -85.81 152.02 56.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.3 Cg_endo -69.79 -175.03 10.27 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.35 0.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' PRO . 4.8 p -32.25 146.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -58.2 -35.86 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 85.2 t -54.63 -32.13 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.6 m -71.2 92.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.1 p -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -78.6 121.14 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 16' ' ' GLU . 18.5 m -109.94 130.37 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -151.2 134.06 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -67.31 133.77 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -36.61 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -67.52 -46.27 70.92 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.28 -31.52 9.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.26 -64.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 26.6 ptt85 -50.01 -37.39 32.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -59.06 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 72.7 mtp -57.92 -47.25 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.4 59.64 0.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -104.34 -46.63 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.559 -0.217 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -164.75 141.05 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -138.41 147.09 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.59 90.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.5 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -164.46 126.16 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.3 m -134.13 176.32 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.11 92.05 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 0.55 5.44 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -106.53 99.14 8.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -81.95 141.33 47.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 156.34 63.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.56 144.1 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.1 117.79 50.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.504 ' N ' ' OD1' ' A' ' 14' ' ' ASN . 0.7 OUTLIER -113.0 135.35 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.42 -12.53 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -93.26 54.22 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.7 mtt -113.86 119.82 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' MET . 25.1 t -34.49 140.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.17 -3.92 55.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 20' ' ' VAL . 56.0 t -118.8 -15.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB3' HG22 ' A' ' 23' ' ' VAL . 69.7 m -126.43 -26.44 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 57.83 38.06 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 21' ' ' CYS . 26.8 m -140.9 148.75 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.4 p-90 -118.89 -175.8 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.503 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.8 m -157.73 147.93 20.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -39.72 -60.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.93 176.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -67.76 138.82 56.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.479 HD12 ' H ' ' A' ' 30' ' ' PHE . 23.7 tp -94.38 144.08 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.3 m-85 -91.22 153.92 44.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.77 -48.84 0.25 Allowed 'Cis proline' 0 C--O 1.233 0.226 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.288 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 m -119.19 176.14 5.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -94.85 -52.45 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 36' ' ' THR . 94.1 t -61.32 -52.09 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' THR . 33.0 m -46.19 94.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' CYS . 59.2 m -33.1 -57.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 16.0 tpt180 -63.24 103.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.32 134.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -151.04 125.27 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -61.46 128.94 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -49.11 -39.53 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.98 82.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.7 -27.47 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD11 ' A' ' 50' ' ' ILE . 20.7 mt -79.44 -59.46 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -55.26 -42.11 73.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.1 mmm -40.95 -55.21 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.86 46.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -105.93 -38.34 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.485 HD11 ' HB2' ' A' ' 44' ' ' LEU . 1.3 mt -100.35 -70.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.185 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 38.95 43.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.81 140.37 14.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -69.9 90.27 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.9 p -115.84 41.21 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.82 119.19 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.27 162.91 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.44 39.28 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.97 135.8 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.3 m -87.33 -73.28 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -144.85 111.37 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.9 mmt -128.98 45.48 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 31' ' ' PRO . . . -100.41 -48.32 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' C ' ' CD2' ' A' ' 63' ' ' HIS . 2.7 t60 -37.01 -55.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.9 p -43.1 150.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -56.72 -54.16 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.5 p -106.57 84.38 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.184 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.42 -114.24 1.72 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -97.33 134.66 40.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.703 0.287 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.25 118.77 37.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.5 p -50.78 173.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.44 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 64.5 t60 -66.16 -49.68 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 37' ' ' ARG . 20.5 m-85 -42.74 -59.11 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 p -65.23 -50.1 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 13.5 m-20 45.04 42.29 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -79.03 145.53 33.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.6 pt -92.75 40.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 77' ' ' ASN . 2.4 t30 -63.73 -61.69 2.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.8 tp -37.58 138.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp -87.53 93.56 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tp -170.33 154.85 4.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 81' ' ' THR . 9.0 t -58.62 119.86 7.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 83' ' ' GLU . 5.3 tp10 -120.75 42.03 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 82' ' ' GLU . 35.1 tt0 -36.43 113.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.4 p -101.76 164.96 11.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.18 71.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.51 60.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.0 p -55.66 116.4 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 m -40.88 119.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.207 -0.774 . . . . 0.0 112.522 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -62.16 165.85 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -151.82 150.86 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.8 178.02 39.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m 55.93 44.73 25.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -54.3 129.39 35.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.97 72.93 0.47 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 -3.58 12.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.338 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mtm105 -121.66 158.8 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.42 138.59 11.57 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.8 5.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 p -173.92 137.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.4 m -118.41 159.93 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -115.67 112.95 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.82 -67.3 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -134.62 126.66 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.426 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 15.9 mtp -141.99 141.83 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -40.33 133.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -76.94 5.21 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -125.35 -20.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.89 -28.79 4.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 17' ' ' MET . 59.8 mt-10 64.56 44.6 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.99 129.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.417 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.4 p-90 -104.0 170.9 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.9 m -149.38 145.78 27.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -32.59 -53.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -144.15 176.3 9.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t 74.63 28.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.532 HD21 HG21 ' A' ' 38' ' ' VAL . 9.2 tp -101.49 89.93 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CE2' ' HB1' ' A' ' 62' ' ' ALA . 8.7 m-85 -86.0 154.48 57.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 -52.01 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.367 -0.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.44 156.68 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -21.25 27.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.61 -20.39 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.1 m -91.74 32.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 36' ' ' THR . 17.0 m 34.01 36.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' CYS . 16.6 tpp180 -175.26 136.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 29' ' ' LEU . 11.6 m -137.61 139.96 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.7 ' HD1' HD11 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -150.37 111.52 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -39.3 114.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.02 -35.88 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.66 80.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.01 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.7 HD11 ' HD1' ' A' ' 39' ' ' PHE . 18.3 mt -68.6 -58.63 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HA ' HD12 ' A' ' 50' ' ' ILE . 19.7 ptt180 -53.15 -39.0 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -63.51 -55.23 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 26.5 mtp -68.46 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 48.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ILE . 18.3 m-85 -92.16 -50.59 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' TYR . 26.8 mt -33.96 -64.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.164 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 52' ' ' GLY . 29.4 tt0 -169.75 143.29 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 51' ' ' GLN . . . -36.78 -75.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -146.32 173.58 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.331 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.4 t -122.35 175.45 6.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.01 5.14 45.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.05 159.43 9.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -79.74 97.43 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.7 m -123.93 168.47 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.122 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.1 m -143.45 130.13 20.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -91.24 158.92 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.743 ' SD ' HG21 ' A' ' 64' ' ' THR . 22.7 ptp -128.25 124.49 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.629 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -99.86 -49.58 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -73.37 76.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.743 HG21 ' SD ' ' A' ' 61' ' ' MET . 1.6 p -145.65 167.39 23.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -58.89 -36.3 74.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 p -80.01 -23.7 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.6 178.75 3.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -118.59 132.35 56.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -78.36 115.2 17.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.3 m -43.11 148.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -40.59 -35.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -94.96 -51.0 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 47.9 m -55.36 132.0 47.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -148.39 153.01 37.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.25 133.8 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.7 pt -112.97 141.83 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -167.06 164.86 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 tp -57.71 -55.33 36.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 79' ' ' LEU . 4.1 pp -47.21 130.71 13.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 81' ' ' THR . 12.0 tp -142.31 153.41 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' LEU . 68.4 p -36.44 130.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -105.49 142.77 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 84' ' ' SER . 22.5 tt0 -162.39 150.26 14.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' GLU . 81.2 p -36.82 134.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.61 82.36 0.25 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.413 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 1.1 t -120.19 155.18 33.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 29.5 t -35.62 117.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -162.92 167.39 22.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -145.72 162.05 38.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.25 -63.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -48.18 -47.53 35.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.388 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -124.73 163.35 22.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.54 77.17 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 6.66 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -52.52 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -173.29 138.74 0.81 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 121.557 0.694 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 143.03 49.6 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.773 2.315 . . . . 0.0 112.338 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -175.09 140.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.1 m -112.66 126.7 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -121.79 88.66 2.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -74.89 -51.8 12.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -116.0 97.63 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.428 ' N ' HG22 ' A' ' 38' ' ' VAL . 3.2 mmt -143.69 124.32 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' GLU . 32.9 t -50.04 141.71 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.33 -6.7 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.02 -28.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 m -113.44 -27.08 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.1 mm-40 53.19 46.94 25.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.89 137.18 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.6 p-90 -110.1 171.19 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.427 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 19.1 p -143.94 143.25 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.28 -38.13 5.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -68.77 172.44 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -69.42 118.93 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.704 HD22 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -79.79 151.56 30.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.2 m-85 -102.24 153.07 38.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.72 -29.39 5.72 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.399 -0.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' HB2' HG12 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -165.84 146.22 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.35 -35.17 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 35' ' ' CYS . 12.4 p -32.18 -45.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.532 ' N ' HG13 ' A' ' 34' ' ' VAL . 2.4 p -81.39 120.9 25.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 47.6 m -34.43 -58.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -72.3 142.25 48.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HD22 ' A' ' 29' ' ' LEU . 34.3 m -128.99 141.25 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' A' ' 44' ' ' LEU . 2.1 p90 -150.89 117.78 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.6 ' CD2' HD21 ' A' ' 29' ' ' LEU . 28.1 m170 -59.76 106.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -38.88 -36.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -64.6 -46.53 89.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.6 m -54.19 -45.78 72.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.415 HD11 ' CD1' ' A' ' 39' ' ' PHE . 27.7 mt -64.26 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 8.3 ptm180 -50.55 -36.18 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -61.67 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 25.5 mtp -57.19 -49.72 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.58 37.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.446 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -89.51 -41.08 12.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.2 mm -49.28 -64.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -135.82 -179.78 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.65 136.53 9.0 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t70 46.32 44.61 12.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 p -156.3 165.9 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.19 176.7 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.56 134.22 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -119.79 81.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.8 m -117.93 164.32 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 t -64.92 154.09 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -87.57 103.84 15.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.7 mtm -151.55 107.47 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.48 -61.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -75.66 -42.92 50.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.5 m -57.89 134.9 56.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' THR . 7.6 tp10 40.75 41.79 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' GLU . 60.3 p 35.71 43.47 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' THR . . . -36.53 -65.96 0.5 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.454 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -126.78 145.39 50.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.4 t -129.64 122.02 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 31' ' ' PRO . 4.3 m -45.39 138.85 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -41.1 -31.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 6.6 p90 -125.93 43.38 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 t -88.63 149.95 23.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.413 ' HB2' HG21 ' A' ' 34' ' ' VAL . 2.7 m-20 -57.26 103.5 0.12 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -139.84 143.79 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.443 ' O ' HD13 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -93.16 171.37 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.57 101.22 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.657 HD23 ' H ' ' A' ' 78' ' ' LEU . 1.6 pt? -101.45 174.22 6.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.465 ' H ' HD12 ' A' ' 79' ' ' LEU . 6.1 mp -65.44 120.42 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 80' ' ' LEU . 3.5 pp -134.98 151.01 50.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 48.1 m -98.64 149.77 22.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -80.42 92.03 5.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.0 pt-20 -139.84 169.42 17.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' GLU . 45.5 m -37.88 141.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.79 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.08 91.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.83 64.85 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.3 p -88.97 174.9 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -114.14 118.55 34.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.456 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -49.17 104.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -121.67 88.52 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.38 58.98 0.68 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -57.18 -17.48 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -94.61 125.59 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.42 72.1 0.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.438 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 6.97 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.361 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 17.2 ttm180 -86.09 135.28 33.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 20.7 mm-40 36.09 51.55 1.66 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 53.4 Cg_endo -69.78 128.4 15.96 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' VAL . 90.3 t -102.63 134.52 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.1 p -34.23 143.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -146.04 138.21 25.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -126.91 -58.94 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB2' HG11 ' A' ' 38' ' ' VAL . 5.1 pt-20 -118.52 100.28 7.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' A' ' 23' ' ' VAL . 16.3 mmm -127.49 129.62 47.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.1 t -48.4 139.34 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -77.25 1.59 18.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.65 -23.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HG13 ' A' ' 23' ' ' VAL . 43.8 m -120.17 -21.22 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 52.43 44.71 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 21' ' ' CYS . 28.9 m -139.68 155.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.2 p-90 -123.12 172.98 8.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.4 p -145.82 148.83 33.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.77 -38.8 64.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.68 177.92 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -68.6 140.01 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.643 HD11 ' CD2' ' A' ' 40' ' ' HIS . 21.9 tp -108.05 158.68 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.9 m-85 -115.53 155.56 47.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.85 -51.47 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' O ' HG12 ' A' ' 38' ' ' VAL . 1.5 p -127.1 170.7 12.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -23.4 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.34 -40.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 m -59.94 149.99 30.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 p -81.95 37.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -173.7 111.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HB ' HD23 ' A' ' 29' ' ' LEU . 35.8 m -106.6 141.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -150.9 113.55 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.643 ' CD2' HD11 ' A' ' 29' ' ' LEU . 25.8 m170 -48.69 148.42 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -77.69 -36.01 51.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 -10.55 81.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 m -85.3 -49.32 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD11 ' HD2' ' A' ' 39' ' ' PHE . 41.6 mt -54.68 -38.74 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 7.4 ptp180 -68.81 -37.18 79.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.5 tmt_? -78.03 -68.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.6 tmm? -35.62 -56.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.59 60.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -123.27 -70.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -66.57 -56.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -75.79 111.7 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.29 -134.87 3.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -114.12 41.32 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.3 p -96.13 -60.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.68 178.6 6.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.69 178.42 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -63.62 112.55 2.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.2 t -145.18 106.46 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.7 t -39.52 160.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -127.55 105.24 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.8 mmt -96.91 83.03 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.23 -59.3 2.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.071 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -76.62 86.57 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' GLU . 3.3 m -142.57 158.7 43.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' THR . 29.7 tt0 -36.18 -57.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 78.3 p -85.26 -48.74 8.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.24 -171.15 18.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -124.64 119.41 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -78.55 126.66 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -50.81 -179.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -76.32 -49.83 15.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -55.37 -16.9 4.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.9 m -53.91 148.98 9.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -90.87 37.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.772 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -123.82 129.83 51.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -110.76 66.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -122.39 83.55 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' C ' HD23 ' A' ' 78' ' ' LEU . 6.7 tt -151.05 106.49 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mt -139.24 160.16 40.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.67 128.88 38.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.9 p -130.15 -39.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -155.35 162.77 40.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -153.34 111.37 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -130.0 151.01 51.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.45 65.56 0.54 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -173.42 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.625 2.217 . . . . 0.0 112.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.1 t 66.08 40.94 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.4 t -95.73 133.27 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.432 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -172.27 146.74 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -63.54 -43.89 95.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.925 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.06 -97.53 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p 43.04 41.09 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p -141.35 131.16 24.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.39 149.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.429 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -7.34 20.82 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -136.83 140.75 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 3.6 mt-10 -46.66 -62.24 2.09 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.651 0.738 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.9 Cg_endo -69.69 149.78 67.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 m -111.59 129.64 66.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.3 m -133.17 48.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.46 ' HB3' ' CE ' ' A' ' 17' ' ' MET . 2.1 t-20 -99.07 -177.58 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -123.58 -43.45 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HB3' HG11 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -83.91 83.18 8.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 14' ' ' ASN . 8.5 mmt -116.21 116.8 28.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 41.6 t -47.3 142.52 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.98 -3.16 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 43' ' ' CYS . 80.2 t -123.6 -30.63 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.487 ' O ' HG13 ' A' ' 23' ' ' VAL . 25.6 m -111.2 -21.96 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' CYS . 45.6 mt-10 52.22 43.23 30.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 21' ' ' CYS . 27.4 m -140.68 165.25 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 8.3 p-90 -130.02 173.11 11.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.444 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 9.5 p -142.01 148.04 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -53.7 -41.19 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -73.96 174.08 9.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 m -58.98 127.25 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.701 HD22 ' HB ' ' A' ' 38' ' ' VAL . 2.3 tt -95.82 144.39 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.666 ' N ' HD23 ' A' ' 29' ' ' LEU . 5.7 m-85 -90.54 153.09 45.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.55 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.75 -47.04 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.411 -0.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.87 -177.16 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HD3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -116.64 -24.12 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.468 HG23 ' HD3' ' A' ' 33' ' ' ARG . 88.2 t -69.83 -48.92 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' THR . 97.2 m -66.91 112.08 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.425 ' O ' HG13 ' A' ' 38' ' ' VAL . 36.6 p -37.63 -59.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -59.6 121.35 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.708 HG11 ' HB3' ' A' ' 16' ' ' GLU . 19.9 m -118.12 139.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -149.89 112.4 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CD2' HD21 ' A' ' 29' ' ' LEU . 22.9 m170 -54.06 111.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.75 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -41.13 -31.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.81 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.3 -58.0 7.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' HB3' HG21 ' A' ' 20' ' ' VAL . 58.2 m -43.95 -40.11 4.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 41' ' ' ASP . 10.0 mt -60.98 -58.62 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.1 -26.28 62.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.68 -61.14 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.407 ' CE ' ' CE2' ' A' ' 49' ' ' TYR . 30.1 mtm -79.07 -55.06 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.63 53.01 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.407 ' CE2' ' CE ' ' A' ' 47' ' ' MET . 14.0 m-85 -93.48 -44.48 8.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.929 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 51' ' ' GLN . 2.5 pp -119.18 -32.27 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.471 ' HB2' HD12 ' A' ' 50' ' ' ILE . 5.9 tt0 -114.09 112.14 22.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.02 43.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -134.53 156.56 48.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.1 t -71.87 -40.02 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.98 5.7 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.29 126.89 53.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.27 69.81 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.5 t -120.1 140.18 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 t -160.55 133.33 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 53.53 42.35 31.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.23 -42.07 21.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -53.7 -50.64 65.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' THR . 27.9 t-80 -62.73 -42.63 99.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' HIS . 87.3 m -37.3 -66.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 67' ' ' GLY . 9.0 tt0 -110.12 130.95 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.3 m -43.32 91.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 30' ' ' PHE . . . 68.87 115.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -75.71 132.34 40.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.775 0.322 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.7 m -85.44 113.19 21.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.584 ' SG ' ' CD1' ' A' ' 72' ' ' TYR . 4.3 p -46.24 161.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -71.18 -19.52 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.584 ' CD1' ' SG ' ' A' ' 70' ' ' CYS . 23.5 p90 -106.87 36.37 2.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.3 m -78.11 47.69 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -161.7 142.49 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -111.51 38.23 2.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.0 pt -72.08 131.65 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -67.47 88.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.5 tp -108.23 129.26 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.01 142.89 27.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -145.73 149.07 33.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.0 p -64.35 102.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.16 89.13 4.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -109.77 42.48 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -163.62 160.64 23.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.39 68.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.543 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -29.63 23.54 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.0 t -134.76 143.93 47.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.0 m -54.32 155.52 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.812 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.49 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -108.07 145.69 33.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.869 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -143.6 175.78 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 125.52 3.73 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -127.56 104.76 8.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 110.909 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 p -146.67 126.18 13.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.34 -168.17 27.86 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.464 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -3.09 11.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -96.39 142.32 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.26 121.85 33.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.721 0.772 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 129.34 17.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.6 m -88.4 140.41 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -108.97 142.52 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.508 ' ND2' ' CD1' ' A' ' 24' ' ' TRP . 27.9 m120 -91.98 174.25 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -121.52 -52.36 2.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -132.23 129.58 39.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.486 ' C ' HG23 ' A' ' 38' ' ' VAL . 17.3 mtp -133.56 146.31 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.86 150.24 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.17 0.8 50.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -127.36 -27.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' O ' HG13 ' A' ' 23' ' ' VAL . 46.1 m -110.97 -23.82 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' C ' ' HB3' ' A' ' 17' ' ' MET . 28.7 mt-10 56.15 41.54 29.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 21' ' ' CYS . 33.1 m -136.67 147.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.5 p-90 -120.23 176.59 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.555 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 15.1 p -150.38 151.62 33.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -57.13 -37.29 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -74.12 177.49 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -66.3 125.36 25.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.799 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.4 tt -92.56 140.1 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' CE2' ' HB3' ' A' ' 62' ' ' ALA . 3.3 m-85 -82.8 152.33 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.568 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.79 -50.43 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.271 0.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -140.92 -176.42 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 3.2 ptm180 -104.06 -33.87 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.459 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 97.2 t -45.45 -69.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.9 m -39.35 157.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.5 p -90.9 44.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -174.88 160.59 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.561 ' HB ' HD22 ' A' ' 29' ' ' LEU . 16.5 m -135.21 132.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CD1' HD11 ' A' ' 44' ' ' LEU . 2.6 p90 -151.39 122.87 7.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CD2' HD21 ' A' ' 29' ' ' LEU . 12.5 m170 -71.67 122.63 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -46.38 -46.62 18.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.9 -25.48 59.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.365 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 m -80.27 -33.75 37.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.616 HD11 ' CD1' ' A' ' 39' ' ' PHE . 80.3 mt -77.9 -43.66 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -58.39 -30.85 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -66.26 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.9 mmm -61.36 -54.19 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.04 48.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -94.0 -37.92 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 pt -106.62 -29.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -173.18 170.99 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.74 -43.83 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -37.91 -46.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.8 p -149.47 153.2 36.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.73 143.56 44.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.64 136.49 54.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.57 45.86 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.5 t -100.11 127.04 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.5 m -40.62 141.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -125.06 130.27 51.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.7 mmt -134.21 132.2 39.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.616 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -120.45 -42.12 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.036 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -81.99 45.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.7 p -140.96 146.42 37.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -47.04 141.21 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p 43.36 37.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.31 -117.7 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -80.9 146.5 30.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.328 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -104.15 97.09 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 71' ' ' HIS . 4.7 m -44.23 157.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 70' ' ' CYS . 17.6 m-70 -35.21 -40.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -98.13 -45.32 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.3 m -53.28 145.73 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -170.05 157.41 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -132.0 154.84 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.1 pt -53.44 -29.78 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.43 96.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 tp -94.2 150.85 19.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.29 179.93 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.831 HD22 ' C ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -136.18 165.34 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.767 ' N ' HD22 ' A' ' 80' ' ' LEU . 24.9 m -149.01 134.74 18.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.203 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -104.52 105.57 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 154.07 50.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -85.76 175.63 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.71 112.31 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.63 59.62 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.353 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 m -42.33 119.92 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.8 p -71.5 146.63 48.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.513 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -102.46 142.21 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 0.0 110.807 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -61.98 150.22 38.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.0 -101.73 0.18 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -174.18 178.45 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -86.11 103.83 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.73 65.85 2.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.71 3.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.56 23.94 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -134.13 114.34 12.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.689 0.757 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 140.05 41.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 12' ' ' VAL . 15.9 m -124.34 83.1 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.2 p -36.55 139.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -113.33 94.44 4.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.33 -46.23 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -136.42 113.42 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -132.39 118.99 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' HA ' HG23 ' A' ' 38' ' ' VAL . 36.5 t -51.44 144.09 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 37' ' ' ARG . 72.0 m-20 -77.26 -4.64 45.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.13 -26.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m -115.59 -26.65 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.2 mm-40 51.4 48.6 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.49 135.56 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -99.68 167.72 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.496 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.7 p -139.56 148.28 42.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -47.88 -38.96 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.45 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -78.16 130.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.713 HD23 ' HB ' ' A' ' 38' ' ' VAL . 6.3 tp -83.54 161.21 21.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.0 m-85 -119.37 153.82 53.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 52.6 Cg_endo -69.8 -38.47 1.62 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.236 0.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.64 ' HB2' HG22 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -157.74 140.3 14.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.2 ppt_? -77.77 -30.98 51.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG22 ' HB2' ' A' ' 32' ' ' CYS . 33.3 m -35.62 -39.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.9 p -86.82 122.81 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 87.7 m -35.87 -62.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.496 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 33.2 ttt-85 -72.85 119.99 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.713 ' HB ' HD23 ' A' ' 29' ' ' LEU . 33.7 m -110.34 145.16 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.556 ' HD1' HD11 ' A' ' 44' ' ' LEU . 1.8 p90 -150.63 111.28 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.697 ' NE2' HD11 ' A' ' 29' ' ' LEU . 46.1 m170 -50.56 138.32 17.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.03 -35.11 79.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -71.08 -34.45 64.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.14 -50.21 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.556 HD11 ' HD1' ' A' ' 39' ' ' PHE . 16.0 mt -55.33 -57.61 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 23.3 ptt180 -52.75 -35.24 55.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 6.7 tmm_? -71.72 -70.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.1 mmm -47.83 -38.67 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.5 69.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -122.57 -46.74 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.0 pt -95.17 -30.51 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -111.15 116.14 30.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.34 -73.65 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -72.28 -52.0 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.75 0.31 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -112.86 114.95 27.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.15 115.36 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.16 110.88 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -101.25 98.01 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.13 137.45 54.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 60' ' ' GLU . 90.5 m -40.61 154.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' N ' HG22 ' A' ' 59' ' ' THR . 60.0 mt-10 -67.6 87.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 19.0 ptp -172.87 134.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.76 -44.18 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 63' ' ' HIS . 2.9 t-160 -83.04 -56.37 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 64' ' ' THR . 1.7 t -68.03 153.16 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' THR . 11.5 tt0 50.83 41.68 26.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 74.0 p 34.83 41.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -38.97 -92.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -123.94 118.87 28.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -94.32 129.87 40.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.015 0.436 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.5 m -44.97 146.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -44.35 -42.85 7.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.588 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -110.92 35.97 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.12 145.71 28.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -48.07 169.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m120 62.13 42.32 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mt -59.48 101.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -111.1 92.92 4.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.562 ' C ' HD22 ' A' ' 79' ' ' LEU . 2.9 tt -89.94 129.68 36.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.562 HD22 ' C ' ' A' ' 78' ' ' LEU . 4.3 mm? -122.52 144.24 49.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.04 133.33 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -125.65 165.14 19.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.61 154.75 20.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 66.47 41.08 3.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.4 m -154.61 137.82 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.15 64.04 0.6 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 167.69 23.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.745 2.297 . . . . 0.0 112.297 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.9 m -113.25 83.54 1.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.4 m 45.72 42.1 8.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.49 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m -99.19 -60.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -141.27 176.64 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.795 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.88 -160.3 8.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -105.09 140.04 38.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -54.76 136.84 45.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.58 -73.08 0.29 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 4.04 2.39 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.403 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -71.63 168.83 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 20.5 mp0 -115.87 112.67 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.706 0.765 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 53.3 Cg_endo -69.75 179.19 3.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.339 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m -91.98 138.78 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -51.93 142.99 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -115.71 163.13 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.75 -41.7 3.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' HG21 ' A' ' 38' ' ' VAL . 19.3 mt-10 -79.99 49.99 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mmm -107.81 126.96 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.8 t -41.24 149.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.0 -0.73 56.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.534 HG21 ' CE ' ' A' ' 47' ' ' MET . 91.8 t -125.54 -16.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -123.36 -29.38 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.36 42.42 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 m -146.96 142.35 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.4 p-90 -113.35 176.92 4.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.551 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.3 p -149.08 149.72 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.131 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -49.78 -40.34 41.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.49 175.58 4.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m -66.1 133.8 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.468 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.6 tt -99.08 132.55 44.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 4.6 m-85 -83.52 151.99 63.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.74 -50.7 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.327 -0.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.24 -178.01 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -113.18 -26.47 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.09 -34.72 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 36' ' ' THR . 98.9 m -87.49 106.09 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.7 m -32.01 -45.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -67.46 101.22 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HB ' HD22 ' A' ' 29' ' ' LEU . 28.2 m -106.07 129.16 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -151.34 123.88 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -49.96 152.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.53 -37.93 71.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -68.93 -50.27 36.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 m -40.28 -42.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 50' ' ' ILE . 21.7 mt -60.3 -64.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 43.1 ptt85 -53.31 -35.84 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -54.08 -49.05 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.534 ' CE ' HG21 ' A' ' 20' ' ' VAL . 55.6 mtm -84.34 -54.99 4.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.45 58.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -110.98 -38.98 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.484 HD11 ' HB2' ' A' ' 44' ' ' LEU . 15.8 mt -60.33 -60.15 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -83.08 137.43 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.89 89.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 63.31 32.19 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.3 p -167.28 121.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.97 6.15 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.35 1.94 11.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 1.5 pm0 -133.92 44.05 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.1 m -111.03 140.39 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.9 m -132.41 90.42 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -122.52 98.23 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 38.0 mtt -153.88 132.85 12.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.15 159.64 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 45.69 39.16 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 65' ' ' GLU . 1.3 m -114.44 177.31 4.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.712 ' H ' HG22 ' A' ' 64' ' ' THR . 10.0 pt-20 -34.16 -38.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' THR . 27.1 m -91.42 -60.21 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.136 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.57 -134.77 7.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.554 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.433 ' O ' ' CE3' ' A' ' 68' ' ' TRP . 5.5 p-90 -124.26 125.7 44.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -138.42 113.2 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . 1.2 p -69.39 -179.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -73.94 -39.51 63.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -91.25 38.17 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.5 m -101.4 129.77 47.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -155.75 119.01 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -102.46 -50.15 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.545 HD12 ' C ' ' A' ' 76' ' ' ILE . 2.8 pp -118.27 158.92 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -82.39 113.06 19.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 76' ' ' ILE . 5.1 tt -133.67 99.21 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.59 112.97 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.76 152.47 19.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 82' ' ' GLU . 13.6 t -62.29 -32.24 72.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 81' ' ' THR . 2.9 pp20? 31.2 42.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 83' ' ' GLU . 10.3 tm-20 -83.63 45.2 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.0 p -74.96 -32.97 61.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.27 77.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 176.71 6.38 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.752 2.302 . . . . 0.0 112.362 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 2.7 m -151.83 175.88 11.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 44.0 p -35.42 121.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.557 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m -139.61 151.11 45.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -46.89 134.42 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.11 61.16 0.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -94.03 133.88 37.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 110.783 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -51.74 -48.19 63.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.6 73.25 1.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' O ' ' C ' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.69 -36.33 11.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 8' ' ' PRO . 3.5 ptm180 30.24 48.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -111.38 129.07 24.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 126.82 13.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.576 2.184 . . . . 0.0 112.346 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.37 153.35 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.6 m -134.49 120.06 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -150.41 -179.53 7.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.55 -34.29 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.526 ' C ' HG21 ' A' ' 38' ' ' VAL . 9.2 tt0 -80.53 44.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.963 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 mtp -108.4 133.51 52.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 41.7 t -50.54 143.13 9.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.94 0.1 36.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.72 -21.05 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -121.22 -27.46 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 62.02 46.87 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -148.05 141.45 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.7 p-90 -112.31 179.98 3.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.552 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 m -155.58 150.3 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -42.53 -60.64 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.47 169.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.5 m -66.46 125.55 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 30' ' ' PHE . 1.6 tt -80.9 133.23 35.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 7.8 m-85 -84.18 151.86 60.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.79 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.398 0.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 p -130.54 -179.69 5.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -116.5 -23.45 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.31 -59.22 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.1 m -41.57 145.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -78.19 45.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -174.46 113.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.526 HG21 ' C ' ' A' ' 16' ' ' GLU . 29.5 m -108.2 129.96 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 39' ' ' PHE . 1.1 p90 -151.18 127.57 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -53.29 159.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -83.68 -26.85 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.27 -24.37 54.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.442 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.25 -33.21 75.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.79 -51.85 13.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -61.07 -40.63 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' HD2' ' C ' ' A' ' 46' ' ' ARG . 7.0 tmm_? -59.29 -59.07 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 46.9 mtp -63.14 -52.74 61.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.41 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -91.46 -43.07 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 pt -111.96 -21.27 5.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -172.41 155.21 3.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -127.9 -58.91 0.12 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -49.31 123.74 7.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 90.2 p -86.43 138.16 31.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -143.14 -175.96 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.13 39.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG2' ' HB3' ' A' ' 55' ' ' ALA . 2.5 pt-20 -121.17 118.97 31.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -120.43 170.52 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.6 m -134.07 131.31 38.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -148.26 172.55 14.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 mmm 61.75 46.2 7.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.1 -58.13 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.2 68.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.1 p -146.78 166.54 26.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -50.09 131.29 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.4 p 39.94 42.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.05 -127.73 1.21 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -102.38 120.53 40.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.5 p -106.37 146.78 30.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.45 ' SG ' ' C ' ' A' ' 72' ' ' TYR . 2.7 p -48.09 175.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -68.65 -36.58 78.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.58 ' O ' ' CD2' ' A' ' 72' ' ' TYR . 37.9 p90 -126.86 93.49 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.21 178.26 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -59.7 -47.06 87.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -96.77 124.19 40.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.9 pt -103.68 147.22 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -153.02 176.17 12.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 tp -76.41 154.71 34.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.55 102.93 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 pp -43.31 163.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 p -68.37 91.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -107.37 118.61 37.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -138.68 124.55 19.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.8 p -170.04 150.07 3.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 86' ' ' PRO . . . 156.14 93.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 85' ' ' GLY . 53.7 Cg_endo -69.79 141.17 44.4 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 m -81.45 90.18 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.5 p -154.62 146.67 23.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.447 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -39.64 128.65 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -168.61 130.78 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.05 -60.5 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -135.14 114.79 12.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -144.51 120.53 10.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 69.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -4.96 15.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.99 150.32 21.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -108.79 133.55 20.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 113.78 3.5 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.668 2.246 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.75 139.31 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 t -93.09 136.34 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -160.73 -178.86 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.73 -37.16 6.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' C ' HG21 ' A' ' 38' ' ' VAL . 75.7 mt-10 -84.13 53.18 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.416 ' HB2' ' N ' ' A' ' 23' ' ' VAL . 5.8 ptp -134.72 143.22 47.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.0 t -41.09 134.81 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.25 3.33 18.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.68 -20.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -119.94 -24.9 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 62.79 44.24 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.416 ' N ' ' HB2' ' A' ' 17' ' ' MET . 5.4 m -137.85 135.16 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.0 p-90 -113.81 -179.91 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.543 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 17.0 p -152.22 150.69 30.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -55.24 -39.42 69.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.92 175.37 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -66.44 121.29 14.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.6 tt -83.56 141.19 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' N ' HD23 ' A' ' 29' ' ' LEU . 4.3 m-85 -84.98 153.73 60.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.76 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.28 0.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.61 166.73 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -99.55 -30.23 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.47 -51.93 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.8 m -58.82 110.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -44.2 -26.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -91.85 107.22 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.727 ' HB ' HD22 ' A' ' 29' ' ' LEU . 34.9 m -109.5 132.84 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.813 ' CD1' HD11 ' A' ' 44' ' ' LEU . 1.6 p90 -150.0 130.7 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 33.5 m170 -59.09 106.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.801 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -35.72 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -69.96 -54.71 10.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.8 m -46.27 -33.8 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.813 HD11 ' CD1' ' A' ' 39' ' ' PHE . 20.4 mt -69.07 -59.95 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 4.2 ptm180 -56.03 -36.32 67.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.99 -61.15 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.9 mmm -50.13 -60.04 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.46 55.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' ILE . 73.9 m-85 -112.94 -70.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.932 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' TYR . 2.1 mt -31.43 -50.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -127.79 158.13 38.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.37 -91.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -100.36 38.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.358 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -154.21 162.87 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.28 167.56 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -171.94 172.58 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -110.34 85.67 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.3 m -132.8 167.35 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.1 m -118.81 -23.61 6.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 64.05 46.78 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.0 mmt -63.9 102.82 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.21 -47.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -73.35 -44.17 59.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.51 HG22 ' N ' ' A' ' 65' ' ' GLU . 10.8 m -53.36 163.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.51 ' N ' HG22 ' A' ' 64' ' ' THR . 22.3 tt0 -42.05 164.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' GLY . 51.6 p 41.19 45.4 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' THR . . . -35.15 135.04 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -72.17 137.94 47.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.4 p -84.99 143.13 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.52 -172.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' CYS . 58.1 t-80 -76.43 -67.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.797 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -43.09 -22.44 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' HIS . 6.8 m -56.22 -53.31 58.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -143.78 122.09 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -70.91 122.42 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.03 124.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -72.04 -52.26 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 tp -84.87 86.3 7.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -91.17 111.6 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -35.72 111.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LEU . 3.4 t -37.48 119.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -160.56 120.4 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -98.38 46.39 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 m -122.47 37.74 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.787 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.58 120.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -5.64 16.65 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.762 2.308 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.0 p -108.71 46.38 0.97 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -165.68 169.59 15.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.432 ' C ' ' HB3' ' A' ' 79' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -122.67 162.64 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.366 . . . . 0.0 110.818 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -131.52 152.06 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.912 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.3 -131.67 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -130.25 99.41 5.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -164.28 159.37 19.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 108.52 3.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.452 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -3.88 12.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.661 2.24 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -105.61 41.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -151.72 151.18 27.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.691 0.757 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.734 2.289 . . . . 0.0 112.32 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 13' ' ' VAL . 87.0 t -136.63 136.34 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.8 t -34.06 151.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' VAL . 7.4 p-10 36.93 49.37 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -57.92 -42.21 84.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -64.86 107.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.9 mmt -144.11 123.93 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.2 t -58.19 145.94 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.97 -1.03 30.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 43' ' ' CYS . 21.9 t -126.4 -25.51 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 27.4 m -116.63 -21.47 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 7.9 pt-20 43.89 42.28 4.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.19 147.84 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CE3' ' O ' ' A' ' 25' ' ' THR . 6.0 p-90 -116.83 -176.33 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.558 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.3 m -159.57 148.5 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.53 -54.88 2.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.1 176.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -67.92 146.83 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.847 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.2 tt -106.3 147.98 28.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.7 m-85 -90.06 154.82 47.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.75 -51.28 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.22 0 C-N-CA 122.769 -1.763 . . . . 0.0 112.293 0.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 p -122.23 -172.78 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.8 -24.15 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' CYS . 75.5 t -69.15 -66.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' VAL . 19.1 m -29.57 134.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.5 m -56.37 -47.34 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -93.6 156.57 16.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.847 ' HB ' HD22 ' A' ' 29' ' ' LEU . 35.0 m -131.68 135.25 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -150.33 121.84 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 5.5 m170 -60.35 100.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 40' ' ' HIS . 68.4 m-20 -32.63 -42.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.17 -55.38 30.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.508 ' HB3' HG21 ' A' ' 20' ' ' VAL . 6.8 m -39.62 -41.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.73 -46.44 64.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 6.0 ptp180 -81.1 -34.31 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.3 tpp -98.91 -46.48 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.05 77.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.0 -46.4 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.432 HD13 ' CD ' ' A' ' 60' ' ' GLU . 11.3 pt -87.61 -16.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -143.64 120.77 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.8 -83.47 1.5 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.01 176.15 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 p -85.15 44.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.58 115.94 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.88 125.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.78 30.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.67 132.51 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.2 t -148.03 148.51 30.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' CD ' HD13 ' A' ' 50' ' ' ILE . 11.1 pt-20 -132.61 141.06 48.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.0 mtm -132.77 84.33 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.471 ' HB1' ' HE2' ' A' ' 30' ' ' PHE . . . -70.93 173.22 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.5 t60 46.9 38.89 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 83.7 m -131.52 -41.8 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' THR . 1.9 tp10 -128.43 -175.28 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' GLU . 28.7 m -35.86 -41.61 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.24 148.12 4.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.427 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.415 ' CE3' ' O ' ' A' ' 69' ' ' SER . 4.3 t90 -105.4 149.04 26.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.803 0.335 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.415 ' O ' ' CE3' ' A' ' 68' ' ' TRP . 16.3 m -78.3 139.13 38.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.5 m -64.39 174.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -51.91 -47.38 64.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -112.16 47.03 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.5 m -137.73 142.25 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 31.6 p30 -173.46 163.22 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -109.96 172.86 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.8 mt -78.55 97.06 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -129.84 -57.31 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.1 tp -110.26 121.59 45.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 80' ' ' LEU . 14.6 tp -116.58 42.84 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -159.71 106.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.1 m -54.26 130.8 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -121.71 -41.52 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -120.13 164.53 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -93.17 175.72 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.45 70.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 179.56 3.64 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.236 . . . . 0.0 112.318 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 t -153.92 136.48 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.4 p -64.8 177.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.535 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -86.07 117.05 24.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 m -163.2 146.57 10.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.32 159.63 10.2 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -100.78 172.3 7.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -174.94 167.57 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.61 -66.9 0.56 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -4.21 13.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -100.32 119.78 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 6.4 mt-10 53.74 51.39 8.38 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.681 0.753 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 53.9 Cg_endo -69.81 169.41 19.04 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.7 t -150.33 143.4 17.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.5 p -86.46 146.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.11 179.01 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -104.19 -37.99 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.587 ' CG ' HG11 ' A' ' 38' ' ' VAL . 5.0 tt0 -78.33 44.43 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.41 117.62 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -45.54 138.09 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 4.11 5.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.15 -29.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -112.34 -24.87 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 56.92 38.87 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -150.65 153.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.481 ' CE3' ' O ' ' A' ' 25' ' ' THR . 7.5 p-90 -116.86 -176.02 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.481 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 5.0 m -157.67 145.76 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -37.04 -60.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -48.35 173.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -74.28 125.74 29.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.672 HD23 ' HB ' ' A' ' 38' ' ' VAL . 13.8 tp -79.64 145.97 32.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' CE2' ' HB3' ' A' ' 62' ' ' ALA . 2.9 m-85 -103.07 154.39 37.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.75 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.299 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.83 177.04 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -22.07 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.2 t -71.29 -51.04 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.183 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 16.9 m -54.11 110.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 31.6 p -33.02 -57.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -74.67 122.84 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.672 ' HB ' HD23 ' A' ' 29' ' ' LEU . 33.8 m -115.35 141.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.661 ' HD2' HD11 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -150.75 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.503 ' NE2' HD11 ' A' ' 29' ' ' LEU . 26.7 m170 -48.48 116.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -41.27 -36.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.59 -56.75 9.11 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.6 m -38.93 -36.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.661 HD11 ' HD2' ' A' ' 39' ' ' PHE . 18.2 mt -65.87 -53.21 42.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 14.0 ptt180 -64.67 -33.26 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 3.6 tmt_? -68.57 -65.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.9 mmm -54.97 -46.55 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.79 62.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -115.4 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 pt -94.24 -19.74 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.2 129.22 54.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -136.96 -107.98 0.86 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -85.73 44.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -173.78 136.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.16 173.82 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -168.75 157.15 8.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -83.35 87.6 6.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.29 140.96 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 59' ' ' THR . 10.0 t -75.43 113.03 12.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -105.82 81.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.4 ttm -103.64 118.34 36.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.776 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -90.12 45.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -129.95 -49.3 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.6 p -49.68 172.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -51.33 -45.9 62.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 66' ' ' THR . 11.7 t -82.41 44.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.52 164.34 1.66 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -89.94 116.22 27.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.67 0.271 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.2 p -98.1 109.41 22.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -54.55 165.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' CYS . 70.9 m-70 -33.72 -65.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 73' ' ' CYS . 34.7 m-85 -55.51 -59.03 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.478 ' C ' ' O ' ' A' ' 72' ' ' TYR . 57.0 m -30.45 140.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -40.9 157.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -92.48 138.14 31.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.2 pt -103.7 165.93 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -96.46 116.53 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.03 101.59 3.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.1 tp -111.01 106.93 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.59 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.8 pt? -94.25 141.02 29.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -167.25 109.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 83' ' ' GLU . 5.0 tt0 65.51 37.79 5.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' GLU . 41.9 tt0 -36.3 117.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 p -145.89 163.94 33.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.89 93.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 176.44 6.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 m -114.77 172.58 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 86.8 p -134.93 178.55 6.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -97.51 82.42 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -63.38 131.07 47.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.85 83.04 1.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -93.12 106.82 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m -90.66 39.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.52 118.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.556 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.476 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 54.1 Cg_endo -69.67 8.08 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.36 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 10' ' ' GLU . 10.5 ttp-105 -73.54 91.74 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 9' ' ' ARG . 8.0 pt-20 31.83 54.97 0.96 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.476 ' HD3' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.74 115.42 4.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 11' ' ' PRO . 33.7 m -33.18 145.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.6 m -61.47 147.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB2' ' CE ' ' A' ' 17' ' ' MET . 16.6 p30 -109.42 107.51 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.16 7.57 46.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' HD13 ' A' ' 29' ' ' LEU . 43.3 mp0 -115.84 79.74 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.427 ' CE ' ' HB2' ' A' ' 14' ' ' ASN . 6.3 mmt -105.88 116.0 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.82 145.82 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.27 0.48 19.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -128.29 -26.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.2 m -114.51 -20.85 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 51.96 40.86 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 24' ' ' TRP . 5.9 p -144.08 165.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 25' ' ' THR . 8.1 p-90 -127.43 172.73 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.513 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 16.7 p -142.92 150.77 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.08 -41.19 62.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -68.5 173.26 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 p -64.45 122.37 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 30' ' ' PHE . 2.1 tt -85.29 139.25 31.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' N ' HD23 ' A' ' 29' ' ' LEU . 5.1 m-85 -96.85 152.47 38.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.576 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.76 -51.84 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.756 -1.768 . . . . 0.0 112.35 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -138.04 177.34 7.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -95.31 -32.77 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.483 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 99.6 t -54.53 -75.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' THR . 92.5 m -38.13 104.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' CYS . 72.4 p -33.33 -44.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -81.37 123.7 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.484 ' HB ' HD22 ' A' ' 29' ' ' LEU . 30.9 m -119.54 138.96 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 31' ' ' PRO . 2.6 p90 -150.98 136.49 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -70.53 141.12 51.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -61.11 -39.7 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -64.39 -50.78 57.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.469 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.406 ' O ' ' CE ' ' A' ' 47' ' ' MET . 6.2 m -44.31 -51.3 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 12.1 ptt180 -49.4 -27.3 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 1.5 tmt_? -60.55 -58.72 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.406 ' CE ' ' O ' ' A' ' 43' ' ' CYS . 3.5 mpp? -76.2 -43.2 43.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.87 51.5 0.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -95.68 -34.73 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -70.81 -72.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 50' ' ' ILE . 6.4 mt-30 32.5 47.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -146.93 -91.96 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.442 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.56 133.77 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 91.7 p -75.77 96.6 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.48 139.19 44.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.8 174.14 7.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.97 104.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.5 p -175.08 137.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.5 m -78.9 103.14 8.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.77 161.67 13.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -114.23 103.98 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.07 -52.14 10.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -38.49 -61.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.0 p -48.96 177.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' THR . 4.7 pt-20 -83.97 -175.6 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' GLU . 55.0 p 36.51 37.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.24 -130.14 4.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -112.56 98.9 7.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 p -86.36 150.01 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.9 m -38.38 147.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -42.64 -35.67 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.423 ' O ' ' CD2' ' A' ' 72' ' ' TYR . 24.0 p90 -130.27 47.72 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.6 t -84.25 -50.41 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.95 -54.8 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -98.04 99.92 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.0 pt -94.12 133.75 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.57 121.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -134.77 139.66 45.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 80' ' ' LEU . 21.3 tp -132.92 161.67 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 81' ' ' THR . 2.2 mp -34.0 129.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 80' ' ' LEU . 60.5 p -32.79 113.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -89.67 -32.93 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -124.94 157.85 35.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.7 t -47.44 107.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.99 62.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.538 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HA ' HG21 ' A' ' 81' ' ' THR . 53.6 Cg_endo -69.78 125.82 12.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.7 m -122.58 93.72 4.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -103.29 114.05 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.452 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 38.74 41.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -72.03 -44.93 62.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.51 45.6 0.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -157.6 132.67 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -93.02 102.19 14.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 130.93 5.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 0.21 5.97 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.85 115.48 28.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 10.0 mt-10 -61.91 -60.58 9.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.81 164.96 32.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.234 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 12' ' ' VAL . 33.1 m -112.18 114.02 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.24 125.6 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -138.32 136.62 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.21 -56.25 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HB3' HG11 ' A' ' 38' ' ' VAL . 55.5 mt-10 -124.19 90.14 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.408 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 5.0 mmm -116.97 150.51 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 40' ' ' HIS . 43.1 t -69.05 149.8 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -80.43 2.59 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -130.0 -27.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 m -111.04 -26.37 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HB3' ' A' ' 17' ' ' MET . 12.2 mm-40 55.23 45.12 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.37 147.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.1 p-90 -118.43 164.75 14.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 2.9 m -135.44 146.88 48.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -40.94 -58.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -56.85 -178.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.66 138.48 56.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.755 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.3 tt -97.88 140.66 31.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.853 ' CE2' ' HB3' ' A' ' 62' ' ' ALA . 3.5 m-85 -82.8 154.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.75 -50.76 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.389 -0.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.85 177.04 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' VAL . 14.5 ttm180 -95.06 -69.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 35' ' ' CYS . 7.2 p -33.9 -46.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.502 ' N ' HG13 ' A' ' 34' ' ' VAL . 16.3 m -62.47 106.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.641 ' O ' HG13 ' A' ' 38' ' ' VAL . 70.2 m -41.23 -64.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -55.35 108.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.755 ' HB ' HD22 ' A' ' 29' ' ' LEU . 3.2 m -109.41 130.82 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 44' ' ' LEU . 1.1 p90 -150.24 126.33 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 41' ' ' ASP . 5.7 m170 -61.88 102.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 44' ' ' LEU . 13.6 p-10 -31.76 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -59.51 -60.05 9.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.68 -37.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 41' ' ' ASP . 60.8 mt -57.99 -52.27 66.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -72.87 -32.31 65.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -65.02 -57.22 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.6 tpp -67.91 -53.43 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.89 67.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -122.54 -41.14 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt -74.88 -67.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' GLY . 12.7 tt0 -172.89 150.2 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' GLN . . . -33.47 99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.559 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -81.56 40.57 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.825 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 m -108.53 -40.95 4.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.66 5.1 10.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.73 133.37 55.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -118.22 101.04 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.9 t -110.25 139.08 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.7 m -120.76 115.72 23.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -99.21 106.78 18.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.809 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.2 mtp -96.03 81.72 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.853 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -88.68 -42.22 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.062 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' THR . 10.8 t-80 -46.4 -60.55 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' HIS . 26.4 p -33.96 124.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' THR . 17.3 mt-10 -38.93 144.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 65' ' ' GLU . 69.2 p 34.27 38.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.66 -124.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -106.43 133.02 51.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.769 0.319 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -86.25 141.29 29.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 p -57.33 170.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -77.04 -45.62 26.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -83.13 48.74 1.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.73 178.23 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -112.39 -40.5 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -82.84 38.09 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.9 mt -79.31 112.72 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -127.66 -49.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 tp -128.0 124.81 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 80' ' ' LEU . 10.9 tp -124.81 80.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' LEU . 25.6 tp 36.22 42.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.971 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.4 m -148.11 145.83 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' HG2' ' CD ' ' A' ' 83' ' ' GLU . 1.5 pm0 -123.71 -31.67 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' CD ' ' HG2' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -84.67 137.98 32.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 m -56.25 135.06 53.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.06 79.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.716 2.277 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 m -74.9 60.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 t -149.29 123.63 9.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.519 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -129.43 111.24 12.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -113.45 121.17 43.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.22 55.29 0.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -123.8 40.57 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.792 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -122.98 113.11 18.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.87 88.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 0.65 5.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.729 2.286 . . . . 0.0 112.288 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -108.49 81.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -143.38 124.91 8.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -177.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -145.67 137.5 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.69 142.37 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.51 133.37 22.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.3 -55.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.649 ' HB3' HG21 ' A' ' 38' ' ' VAL . 48.8 mt-10 -131.36 102.21 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.412 ' HB3' ' C ' ' A' ' 22' ' ' GLU . 8.7 mmt -107.63 123.09 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -45.73 147.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -79.96 -0.67 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.51 -21.75 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 23' ' ' VAL . 30.6 m -121.9 -23.04 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' C ' ' HB3' ' A' ' 17' ' ' MET . 38.9 mt-10 59.0 37.17 24.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 24' ' ' TRP . 85.0 t -138.84 153.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.59 ' CE3' ' O ' ' A' ' 25' ' ' THR . 5.0 p-90 -118.74 -178.1 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.59 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 10.1 p -153.56 146.62 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -52.71 -41.91 64.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -70.32 175.98 4.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 p -59.5 129.87 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.68 HD22 ' HB ' ' A' ' 38' ' ' VAL . 3.8 tt -98.81 128.53 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' N ' HD23 ' A' ' 29' ' ' LEU . 2.1 m-85 -82.34 153.11 68.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.76 -51.41 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.364 -0.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.1 p -135.35 -174.82 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 7.6 tpp85 -107.0 -55.06 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' ARG . 15.5 m -35.55 -40.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 89.9 m -78.85 109.74 13.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 m -41.53 -45.29 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -71.43 106.67 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.68 ' HB ' HD22 ' A' ' 29' ' ' LEU . 27.6 m -105.39 135.81 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CD2' HD21 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -151.39 122.76 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.09 141.41 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.564 ' HA ' HD12 ' A' ' 44' ' ' LEU . 4.0 m-20 -59.65 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.9 -21.6 31.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -79.0 -38.33 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.679 HD21 ' CD2' ' A' ' 39' ' ' PHE . 6.1 mt -68.44 -43.98 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.94 -35.48 80.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -55.48 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 19.7 mmm -66.82 -39.49 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.33 58.42 0.58 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.85 -21.63 12.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.612 HD12 ' HG3' ' A' ' 51' ' ' GLN . 1.1 pp -129.9 -34.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.612 ' HG3' HD12 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -177.36 137.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' OE1' ' A' ' 51' ' ' GLN . . . -58.09 -176.24 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -86.08 46.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -134.95 93.64 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -175.12 122.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.57 5.71 10.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -116.39 44.19 2.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.8 m -104.02 138.51 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.8 m -144.56 105.76 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -165.29 166.26 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.6 mtm -126.57 113.42 16.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.47 -60.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -38.11 -54.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.0 p -43.36 147.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -54.75 144.68 21.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.9 p 38.39 40.01 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.13 -101.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.473 ' CE2' ' O ' ' A' ' 69' ' ' SER . 32.8 t-105 -102.13 145.29 29.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.473 ' O ' ' CE2' ' A' ' 68' ' ' TRP . 39.7 m -87.71 137.91 31.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.2 167.36 12.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -67.77 -39.87 84.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -87.28 37.71 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.59 175.69 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.24 101.03 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -143.57 158.36 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 76' ' ' ILE . 5.1 mp -61.99 93.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.52 94.32 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -44.7 138.56 3.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 162.44 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 81' ' ' THR . 7.5 tt -139.48 142.63 37.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.434 ' N ' HD23 ' A' ' 80' ' ' LEU . 22.2 m -67.96 102.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -168.69 127.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -133.32 79.84 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.2 m -142.9 109.9 5.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 86' ' ' PRO . . . 170.09 106.53 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 85' ' ' GLY . 54.1 Cg_endo -69.82 110.04 2.47 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 m 46.02 40.84 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 t -87.38 122.92 31.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -98.37 141.07 31.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 p -46.59 141.85 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.5 -175.5 16.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -126.59 91.91 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -146.8 131.36 17.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.88 -156.27 23.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.76 7.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.743 2.295 . . . . 0.0 112.321 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -106.42 126.88 52.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -102.89 118.48 58.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 114.36 3.69 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 0.0 112.398 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 12' ' ' VAL . 13.8 t -113.12 44.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG21 ' CG ' ' A' ' 24' ' ' TRP . 23.9 m -143.47 120.27 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -133.44 -45.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.5 -36.36 65.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.543 ' HB2' HG11 ' A' ' 38' ' ' VAL . 7.4 pt-20 -83.97 96.15 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.5 mtp -139.97 139.36 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -52.17 135.07 32.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -75.53 4.05 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.3 -27.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.508 ' O ' HG13 ' A' ' 23' ' ' VAL . 60.6 m -114.74 -22.95 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 53.97 35.9 23.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 21' ' ' CYS . 33.4 m -141.58 170.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CG ' HG21 ' A' ' 13' ' ' VAL . 8.4 p-90 -128.55 171.57 11.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 22.6 p -142.65 146.96 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -43.03 -37.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.4 176.96 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 p -68.11 136.4 53.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.21 106.08 18.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.3 m-85 -82.58 151.57 65.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.84 -171.53 6.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.35 0.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 31' ' ' PRO . 1.8 p -45.24 173.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' VAL . 22.2 ttp180 -74.52 -52.85 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ARG . 66.0 t -28.08 -42.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ARG . 1.3 p -86.22 90.15 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' CYS . 9.6 t -33.09 -42.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' HG23 ' A' ' 36' ' ' THR . 20.1 ptt-85 -64.06 112.59 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 16' ' ' GLU . 34.6 m -112.44 126.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 31' ' ' PRO . 2.2 p90 -150.01 127.5 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 42' ' ' GLY . 29.7 m170 -54.51 101.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 31.5 t0 -33.61 -34.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' HIS . . . -70.72 -55.48 8.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.528 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.7 m -40.93 -39.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 39' ' ' PHE . 38.0 mt -57.91 -45.39 86.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 46' ' ' ARG . 5.8 ptm180 -78.31 -30.57 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -69.12 -41.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.5 tpp -94.76 -41.68 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.24 85.82 1.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -129.39 -41.06 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.746 HD13 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -101.76 -29.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -158.75 -175.59 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.96 43.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.62 121.15 15.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -88.78 48.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.73 5.14 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.96 158.03 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.65 40.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.8 t -51.87 107.78 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.4 t -75.36 171.28 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -88.99 112.05 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.3 mmt -116.0 39.88 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.87 -49.78 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -95.83 53.03 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.0 p -136.97 177.27 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -38.94 -65.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 73.3 m -86.32 93.14 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.14 150.49 42.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -110.28 140.71 44.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.3 p -78.66 147.35 33.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.37 152.97 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -44.4 -52.02 8.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -80.44 -50.96 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.44 132.71 54.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 75' ' ' ASN . 24.7 t0 -168.85 121.52 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' ASP . 42.2 t30 -34.05 -51.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.3 pt -105.57 172.55 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -88.99 96.51 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 79' ' ' LEU . 13.0 tp -79.12 155.73 28.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.426 ' N ' ' HG ' ' A' ' 78' ' ' LEU . 1.8 pt? -137.73 168.01 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 tp -150.47 139.26 20.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.2 t -101.32 142.4 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -123.93 84.61 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -126.69 84.5 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.2 p -145.96 173.63 11.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.15 93.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 110.28 2.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.0 t -53.83 121.51 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t -58.5 177.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.472 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -165.85 131.42 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -155.36 167.86 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.55 -164.04 19.28 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -104.18 169.28 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -40.89 115.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.33 89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.12 2.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.616 2.211 . . . . 0.0 112.394 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -106.87 85.29 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -167.03 119.49 0.77 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.661 0.743 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.763 2.309 . . . . 0.0 112.253 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.5 134.39 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.6 t -97.3 116.46 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB3' ' HE2' ' A' ' 17' ' ' MET . 1.1 t30 -173.51 149.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -86.93 -51.87 5.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -62.04 109.01 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.498 ' HE2' ' HB3' ' A' ' 14' ' ' ASN . 8.7 mmt -143.3 109.5 5.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' GLU . 42.5 t -48.72 137.14 12.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.06 2.77 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 43' ' ' CYS . 2.6 t -129.32 -27.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.771 ' O ' HG23 ' A' ' 23' ' ' VAL . 26.1 m -120.58 -19.29 7.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.3 mt-10 50.86 45.62 27.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 21' ' ' CYS . 21.6 t -138.02 155.0 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.2 p-90 -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 24' ' ' TRP . 17.9 p -156.18 142.67 18.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -51.77 -34.72 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.65 175.41 7.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -63.74 125.08 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.748 HD22 ' HB ' ' A' ' 38' ' ' VAL . 2.7 tt -100.04 129.09 46.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -91.14 154.09 44.85 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.87 -51.16 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.317 0.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 p -163.04 149.65 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.484 ' CD ' ' H ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -87.62 21.85 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.1 t -113.36 -19.72 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 m -86.51 30.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 36' ' ' THR . 7.2 m 39.93 34.94 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -172.96 141.47 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.748 ' HB ' HD22 ' A' ' 29' ' ' LEU . 18.1 m -136.83 130.75 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 44' ' ' LEU . 1.3 p90 -150.87 116.28 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -46.7 109.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -39.98 -39.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.34 99.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.487 ' HB3' HG21 ' A' ' 20' ' ' VAL . 16.0 m -58.56 -45.37 89.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 39' ' ' PHE . 56.8 mt -64.5 -56.99 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.45 -24.67 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -67.78 -61.85 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.4 mtm -60.01 -41.04 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.12 51.74 0.81 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -103.4 -42.26 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 pt -90.35 62.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -175.84 155.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.88 52.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -168.66 167.26 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.5 p -47.16 119.58 2.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.32 116.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 57' ' ' GLU . . . -168.87 162.31 11.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 56' ' ' ALA . 9.0 mp0 31.73 42.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 58' ' ' VAL . 34.3 m -82.96 123.56 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.2 t -87.82 149.19 24.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -130.66 -33.86 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.9 mtp -123.16 98.9 6.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.3 -56.13 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -57.61 91.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.6 p -147.01 176.08 10.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.3 -53.36 59.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 t -87.94 -17.58 30.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.0 -163.43 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.409 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -129.67 138.33 51.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 m -80.48 143.49 33.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 31' ' ' PRO . 2.3 m -71.49 146.25 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -43.63 -35.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 72' ' ' TYR . 28.0 p90 -126.44 44.99 2.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.96 131.71 34.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.15 118.73 31.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -170.27 178.55 3.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.9 pt -89.6 178.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -104.8 115.86 31.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.1 tp -86.78 -42.23 13.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 pp -123.93 169.65 11.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.26 122.24 29.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.2 t -158.82 130.7 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -134.1 97.21 3.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -116.99 71.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.2 m -91.75 87.27 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.91 65.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.01 38.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 t -157.94 144.83 17.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 m -163.53 132.24 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.475 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m 59.35 43.17 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 m -46.03 -52.52 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 142.85 -48.6 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.441 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.9 t -36.24 113.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -163.74 130.23 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.96 -65.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.79 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.763 2.308 . . . . 0.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.8 ttp85 -62.37 124.25 20.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -138.69 121.52 10.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 116.28 4.48 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.266 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.64 142.0 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -104.85 141.81 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -128.3 148.21 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -92.69 -56.19 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' HG11 ' A' ' 38' ' ' VAL . 6.1 mm-40 -84.64 99.53 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' HG21 ' A' ' 38' ' ' VAL . 11.4 mmm -134.15 122.51 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 22' ' ' GLU . 47.3 t -43.47 132.75 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.03 -1.1 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.45 -32.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -110.14 -29.63 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' CYS . 51.0 mt-10 61.17 45.42 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.43 129.51 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.428 ' CZ3' ' HA ' ' A' ' 26' ' ' ALA . 4.5 p-90 -97.12 173.48 7.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 p -149.34 145.99 27.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -45.42 -39.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.26 173.79 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 t -61.29 134.9 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.61 HD22 ' HB ' ' A' ' 38' ' ' VAL . 1.8 tt -99.0 127.49 44.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.0 m-85 -83.53 153.67 65.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.789 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.85 -51.43 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.355 0.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.1 -177.1 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -105.68 -34.42 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 22.4 m -59.62 -40.8 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' THR . 3.4 p -79.95 100.22 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 55.1 m -33.39 -56.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -57.98 103.78 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.61 ' HB ' HD22 ' A' ' 29' ' ' LEU . 29.1 m -104.24 132.81 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 0.8 OUTLIER -150.82 120.57 7.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -59.31 122.06 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.4 t70 -40.85 -51.61 3.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ARG . . . -56.4 -57.59 18.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 m -38.17 -32.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 41' ' ' ASP . 14.5 mt -63.74 -48.26 77.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' CZ ' ' O ' ' A' ' 58' ' ' VAL . 8.8 ptt85 -78.23 -33.9 49.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.36 -39.81 94.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.2 tpp -93.58 -58.22 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.48 73.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -119.23 -40.97 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.483 HG13 ' N ' ' A' ' 51' ' ' GLN . 45.7 pt -112.9 -38.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.483 ' N ' HG13 ' A' ' 50' ' ' ILE . 4.0 tp60 -159.57 119.34 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.47 78.77 1.95 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -127.52 83.98 2.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 2.8 m -79.91 162.81 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . 67.22 24.9 9.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.12 130.57 55.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.33 85.24 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.463 ' O ' ' CZ ' ' A' ' 45' ' ' ARG . 89.8 t -145.39 130.76 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.9 m -114.67 -44.36 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 65.33 36.69 6.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 97.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.08 147.52 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.476 ' HB3' ' C ' ' A' ' 66' ' ' THR . 1.8 t60 -47.76 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 63' ' ' HIS . 22.3 p -32.81 -43.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.614 ' OE1' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -74.73 -73.38 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.614 HG23 ' OE1' ' A' ' 65' ' ' GLU . 63.8 p -143.95 111.26 5.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.94 -90.88 0.11 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -71.61 141.4 49.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.1 m -103.47 113.03 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.498 ' SG ' ' CG ' ' A' ' 31' ' ' PRO . 16.4 m -57.64 165.5 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -47.41 -44.83 24.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 2.4 p90 -111.82 40.29 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.487 ' HB2' ' N ' ' A' ' 70' ' ' CYS . 2.5 m -127.2 39.62 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -111.71 127.88 55.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -121.16 -45.32 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.2 pt -46.98 132.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -109.03 91.81 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 tp -126.83 139.19 53.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt -81.31 48.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 81' ' ' THR . 15.9 mt -40.42 143.84 0.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' LEU . 76.0 p -34.31 121.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -126.21 124.04 39.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -121.93 40.44 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.4 t -163.32 107.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.407 ' HA2' ' HD2' ' A' ' 86' ' ' PRO . . . 140.45 104.37 0.57 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HD2' ' HA2' ' A' ' 85' ' ' GLY . 54.2 Cg_endo -69.72 3.12 2.93 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.622 2.215 . . . . 0.0 112.399 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.1 m -96.0 128.7 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLY . 40.7 t -78.71 -48.39 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.386 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -114.07 115.1 27.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -166.17 138.89 3.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.51 -87.24 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -54.22 139.98 34.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -82.7 47.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.21 112.33 0.23 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -1.72 8.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.289 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -111.12 126.6 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.594 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 19.3 mt-10 -51.61 -55.1 32.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.652 0.739 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.4 Cg_endo -69.77 153.98 68.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.2 m -77.05 159.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.581 HG23 ' OD1' ' A' ' 14' ' ' ASN . 33.6 m -146.54 154.08 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' A' ' 13' ' ' VAL . 7.2 p-10 36.67 47.77 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.17 -3.25 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.827 ' HB2' HG21 ' A' ' 38' ' ' VAL . 4.4 pt-20 -137.87 119.55 15.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 16' ' ' GLU . 8.1 mmt -139.58 116.8 11.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' GLU . 49.8 t -43.46 144.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.815 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -76.41 -2.98 34.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.63 -22.39 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.895 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 m -124.85 -15.89 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 13.7 pt-20 44.21 48.55 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 21' ' ' CYS . 48.3 t -137.35 151.8 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.461 ' O ' HG23 ' A' ' 25' ' ' THR . 6.1 p-90 -118.83 -177.43 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 24' ' ' TRP . 17.8 p -157.36 143.37 17.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.3 -37.47 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.69 177.04 7.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.71 137.7 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 30' ' ' PHE . 1.6 tt -111.01 131.4 55.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -82.64 153.27 67.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.787 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.56 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 54.3 Cg_endo -69.68 -51.96 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.396 -0.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.9 p -136.68 177.27 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -25.36 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.67 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.6 m -40.77 150.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -84.11 35.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -155.75 126.24 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 16' ' ' GLU . 16.0 m -119.85 129.66 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 31' ' ' PRO . 1.9 p90 -151.04 133.58 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 3.7 m170 -72.33 124.38 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -45.61 -56.47 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.28 -44.24 14.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.9 m -61.36 -33.25 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.738 ' HB2' HD11 ' A' ' 50' ' ' ILE . 87.9 mt -67.0 -52.14 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.69 -29.75 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -61.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.65 -54.51 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.81 50.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -104.94 -36.25 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' ' 44' ' ' LEU . 1.8 mt -89.49 -70.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' ILE . 15.2 tt0 35.16 42.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.7 87.86 1.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -44.1 -43.7 7.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.1 m -90.45 140.96 29.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.16 136.81 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 175.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -95.53 41.41 1.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' THR . 22.7 m -82.41 -24.62 8.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 59' ' ' THR . 18.7 m 34.36 44.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -127.59 170.22 12.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.543 ' HA ' ' CE3' ' A' ' 68' ' ' TRP . 25.8 ptm -172.1 156.65 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.46 164.24 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 70.87 38.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.6 p -134.18 -179.44 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -63.79 -51.58 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.5 t -75.51 -26.02 57.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.65 -167.06 44.01 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.543 ' CE3' ' HA ' ' A' ' 61' ' ' MET . 63.1 t-105 -107.79 137.73 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.1 t -115.84 108.34 16.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.423 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . 0.8 OUTLIER -53.68 177.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -72.71 -38.9 67.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -93.65 32.06 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.67 34.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 59.08 47.47 11.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -145.4 177.29 8.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.479 HD12 ' C ' ' A' ' 76' ' ' ILE . 2.7 pp -110.01 171.83 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -112.49 -62.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.9 tp -92.6 131.23 37.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.636 ' O ' HD22 ' A' ' 80' ' ' LEU . 2.0 tt -118.55 79.64 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 79' ' ' LEU . 4.2 mm? -131.06 162.1 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.43 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 60.8 p -85.42 -36.26 20.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 81' ' ' THR . 18.7 mp0 -159.61 134.1 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -128.48 -59.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.6 m -124.46 71.02 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.84 111.26 0.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -6.85 19.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.1 p -63.29 145.98 54.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.7 p -167.71 132.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.469 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p 45.08 42.28 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -74.73 159.41 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.2 143.5 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -56.48 132.98 52.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -119.4 84.88 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.65 87.82 0.49 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.14 2.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.234 . . . . 0.0 112.373 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -61.18 139.35 58.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -60.86 119.72 47.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 142.71 48.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 14' ' ' ASN . 54.1 t -144.02 142.95 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 13' ' ' VAL . 5.6 p 29.76 38.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 12' ' ' VAL . 84.0 m-20 -90.42 133.51 34.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -116.88 -62.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HB3' HG11 ' A' ' 38' ' ' VAL . 78.8 mt-10 -59.96 102.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mmt -132.89 133.92 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 34.1 t -50.66 153.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -87.77 -9.19 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.21 -13.96 10.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 m -125.51 -31.41 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 62.32 43.36 8.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.602 HG22 ' N ' ' A' ' 24' ' ' TRP . 8.3 p -140.15 168.53 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.602 ' N ' HG22 ' A' ' 23' ' ' VAL . 5.3 p-90 -132.82 171.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.58 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 20.8 p -143.71 149.5 37.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . . . -50.4 -39.72 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.13 171.32 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -58.77 141.37 53.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 tp -111.35 119.79 40.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.544 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 3.8 m-85 -85.81 152.02 56.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 30' ' ' PHE . 54.3 Cg_endo -69.79 -175.03 10.27 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.35 0.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' PRO . 4.8 p -32.25 146.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -58.2 -35.86 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 85.2 t -54.63 -32.13 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 36' ' ' THR . 1.6 m -71.2 92.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 35' ' ' CYS . 38.1 p -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -78.6 121.14 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 16' ' ' GLU . 18.5 m -109.94 130.37 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -151.2 134.06 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -67.31 133.77 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -36.61 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 45' ' ' ARG . . . -67.52 -46.27 70.92 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.5 m -49.28 -31.52 9.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.26 -64.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 26.6 ptt85 -50.01 -37.39 32.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -59.06 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 72.7 mtp -57.92 -47.25 83.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.4 59.64 0.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -104.34 -46.63 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 51' ' ' GLN . 1.7 mp -55.5 -66.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.476 ' N ' HG22 ' A' ' 50' ' ' ILE . 5.4 pt20 -133.23 -38.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.48 -78.97 0.26 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.392 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.22 146.8 54.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 m -48.58 176.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.78 162.36 38.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.58 -179.71 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -88.08 48.22 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.77 -72.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -135.01 19.24 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -92.65 80.89 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 77.0 mtm -155.42 126.82 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.41 -62.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -70.76 91.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 p -126.73 -58.75 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -126.53 -60.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.5 p -118.18 -47.63 2.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.83 146.89 4.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -100.65 149.17 24.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 m -78.8 116.36 19.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 31' ' ' PRO . 2.9 m -48.85 177.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.61 -47.79 84.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -108.05 42.09 1.43 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.5 m -135.0 46.39 2.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -170.22 170.5 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -106.74 -53.13 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.5 mt -85.14 96.31 4.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -89.27 112.08 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 79' ' ' LEU . 33.5 tp -85.78 163.98 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.619 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.8 pp -116.87 137.49 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.47 171.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.8 p -75.38 170.07 16.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.49 105.72 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -165.05 137.05 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -71.43 -51.47 23.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.99 69.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 155.14 66.7 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 p -149.68 123.08 9.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -72.59 158.6 35.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.776 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.058 -0.857 . . . . 0.0 112.533 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_