data_1wfh_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 1wfh _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 ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' ARG . 27.5 t -54.25 126.31 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -74.71 6.64 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 46.0 t -114.96 -44.67 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.38 -3.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.1 mmt180 49.32 55.01 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -85.28 15.46 4.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 3.1 mpt_? 58.99 37.83 24.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttt -88.52 98.61 11.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 t -48.49 165.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -70.44 -43.31 70.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 p -46.21 -34.0 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.88 39.08 0.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -136.31 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.164 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -118.9 132.97 56.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.514 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.7 m-85 -134.94 175.17 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.435 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 27.6 p -95.62 157.28 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.31 -21.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -90.46 -30.85 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.442 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.5 m170 -114.97 26.61 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.53 -27.08 61.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -67.12 147.42 99.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.676 0.751 . . . . 0.0 110.93 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.562 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.8 -43.01 2.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.42 -38.8 78.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.16 -48.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 18.7 p-80 -103.13 31.38 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 35.38 70.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.459 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -54.51 128.04 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -76.4 9.39 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 38' ' ' PHE . 72.3 t -119.3 -44.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -125.95 -8.01 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 52.38 54.94 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.1 ptmt -92.99 37.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.5 mmt85 34.91 43.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 ' CG2' ' A' ' 37' ' ' THR . 21.6 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -82.52 100.06 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -52.18 172.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -73.79 -45.99 48.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -42.25 -35.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.07 32.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 p -130.16 175.21 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.415 ' CG2' HG22 ' A' ' 25' ' ' VAL . 17.4 m -124.34 137.73 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 73.4 m-85 -138.48 173.78 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.424 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.5 p -89.58 175.44 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.5 -18.75 56.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 t -95.4 -26.32 15.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -115.86 24.24 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -72.51 -31.55 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -64.87 149.95 95.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 -43.27 2.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -40.75 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.2 t -54.64 -50.82 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.607 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 p-80 -101.52 35.49 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.62 67.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 19.6 t -52.08 124.59 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -73.62 5.79 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -114.96 -43.19 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -128.33 -6.25 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 35.9 mmm-85 50.69 54.79 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.67 38.07 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.0 mpt_? 33.86 40.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' ARG . 25.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -93.26 99.34 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -50.83 171.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -73.42 -44.56 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 p -42.91 -33.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 30.74 1.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 p -130.22 177.89 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.7 m -127.83 139.74 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 66.1 m-85 -138.12 178.0 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.402 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.7 p -94.4 175.03 6.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.35 -18.45 50.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -97.14 -25.19 15.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' PHE . 41.4 m170 -115.9 23.73 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -73.46 -27.38 61.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' HB2' ' CG2' ' A' ' 47' ' ' VAL . 89.4 m-85 -66.31 147.08 99.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.681 0.753 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.563 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.77 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.76 -40.06 82.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 44' ' ' TYR . 84.7 t -55.21 -52.06 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.75 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 14.5 p-80 -98.35 32.15 2.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.45 69.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.5 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 13.6 t -49.48 129.33 18.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.561 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 22.8 m -75.5 7.05 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.545 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 53.7 t -115.71 -49.82 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.99 -3.41 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 6.3 mmm180 49.01 55.03 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -85.7 23.56 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 50.85 54.77 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.47 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 28.2 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -117.57 103.89 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 t -54.52 168.47 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -72.21 -43.82 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 p -45.68 -34.26 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.96 38.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 p -133.34 164.18 27.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.17 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -115.02 129.06 56.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 84.7 m-85 -129.68 -178.4 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' ARG . 31.0 p -106.82 164.94 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.29 -20.12 3.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -91.21 -25.07 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.545 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 31.9 m170 -125.76 26.0 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' CYS . 18.9 ptt180 -72.61 -27.33 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.94 148.03 96.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.554 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.77 -43.88 2.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.65 -36.88 70.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.07 -52.64 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.634 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 22.8 p-80 -99.04 32.83 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.47 65.0 0.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.46 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.3 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 24' ' ' ARG . 67.3 mtt-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.4 t -43.77 126.92 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.404 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 34.7 m -74.15 5.64 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.467 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 75.2 t -115.02 -45.69 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -125.65 -7.27 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.5 mmt180 49.6 54.98 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HD2' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -89.63 25.27 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 17' ' ' ARG . 12.8 ptt180 44.28 47.93 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' A' ' 23' ' ' LYS . 32.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.855 0.36 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.57 96.2 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 t -45.79 170.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -74.48 -42.4 59.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.0 p -45.64 -31.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 35.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 p -134.49 166.8 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -114.69 133.28 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 65.2 m-85 -136.37 177.77 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' ARG . 25.5 p -102.0 163.97 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.53 -24.34 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -88.52 -23.2 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.467 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.8 m170 -124.33 23.83 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 ptm180 -73.01 -31.86 64.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.73 147.92 92.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.969 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.12 -37.98 75.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.24 -54.53 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.0 p-80 -94.72 33.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.62 74.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.918 0.39 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.1 t -42.1 156.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.579 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 31.6 m -100.37 1.07 41.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.536 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 39.6 t -114.6 -44.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.79 4.72 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.473 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 40.02 54.69 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.4 ptpt -89.84 44.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.534 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.7 ttt180 27.36 52.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 34.5 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttt -91.84 98.36 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.84 169.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -73.33 -43.4 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.08 -32.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.73 35.72 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 p -133.84 161.37 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 m -112.99 125.35 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 93.0 m-85 -121.55 173.88 7.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -92.24 175.58 6.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.53 -19.46 53.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 28.1 m170 -112.84 20.05 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.75 -33.41 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -65.86 147.09 98.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.727 0.775 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -55.41 -39.39 70.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.29 -52.88 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.65 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.9 p-80 -99.76 37.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.09 65.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.0 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.917 0.389 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 11.9 t -41.1 156.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.569 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.5 m -101.27 0.24 36.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.413 ' HB ' ' ND1' ' A' ' 42' ' ' HIS . 70.5 t -112.58 -43.42 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 31.2 p -130.91 4.8 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.483 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 41.8 54.81 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.9 ptmt -86.94 38.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.8 mtp85 33.34 45.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.1 ttt -86.08 104.91 16.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -56.18 177.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 25.0 ptt180 -78.82 -45.0 21.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.6 p -42.59 -35.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.72 35.04 0.87 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 p -133.8 165.52 24.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -111.3 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 66.9 m-85 -128.33 174.37 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 20.9 p -96.49 156.81 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.08 -22.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.4 t -88.96 -36.02 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.413 ' ND1' ' HB ' ' A' ' 20' ' ' VAL . 25.7 m170 -108.73 25.49 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -74.37 -30.08 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -68.01 148.84 98.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.778 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.8 -44.21 2.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -53.42 -41.49 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.1 -56.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 23.7 p-80 -95.16 30.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.05 73.57 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.448 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.477 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.391 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.475 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 21.1 t -41.9 149.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.586 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 27.7 m -94.52 1.97 55.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.11 -47.43 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.03 -2.1 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 48.74 53.82 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -86.41 39.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 30.6 51.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 37' ' ' THR . 35.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.8 ttt -118.14 101.36 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.7 172.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 24.7 ptt180 -78.39 -36.42 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.3 p -51.91 -30.89 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 38.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 p -135.72 165.83 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 25' ' ' VAL . 13.3 m -113.92 129.55 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 84.7 m-85 -130.17 174.0 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 42' ' ' HIS . 21.7 p -96.34 153.99 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.1 -24.68 0.1 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' CYS . 15.7 t -86.91 -35.63 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' CYS . 18.9 m170 -109.48 23.37 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.67 -33.25 72.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.51 150.07 94.17 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.687 0.756 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.77 -45.99 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -54.72 -41.61 70.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.2 t -53.04 -44.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 26.8 p-80 -110.14 36.45 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.32 65.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.46 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 12.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.47 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 14.0 t -39.85 157.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.576 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.9 m -101.79 1.43 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 53.5 t -114.3 -44.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -129.11 5.22 5.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.473 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.6 ptpt -87.62 41.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.1 ttm-85 27.57 49.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.3 ttt -78.87 99.44 6.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.5 t -51.14 178.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -78.83 -42.93 26.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.72 -31.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 40.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.33 166.1 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.163 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 m -111.66 130.24 55.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.576 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 87.6 m-85 -129.39 175.69 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.7 p -97.55 170.64 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.49 -20.83 32.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.3 t -93.56 -25.89 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.466 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 27.1 m170 -117.36 21.21 13.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.7 ptt180 -72.44 -31.67 65.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -62.85 144.8 96.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.671 0.748 . . . . 0.0 110.948 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.469 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.6 Cg_endo -69.77 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -37.33 83.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.9 t -60.9 -57.92 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 10.7 p-80 -90.5 31.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 36.33 78.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.472 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.4 t -56.63 125.39 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 m -74.98 6.8 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 38' ' ' PHE . 55.7 t -116.98 -43.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -129.65 -2.98 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 15.3 mmt180 45.79 51.82 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -85.03 18.1 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.6 mpt_? 55.92 44.61 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 27.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.0 ttt -90.2 99.31 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 t -47.72 169.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 4.8 ptp180 -76.19 -36.13 58.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.5 p -52.39 -32.8 40.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.25 40.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 p -137.94 166.47 23.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 0.0 111.187 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.43 HG21 ' CG2' ' A' ' 25' ' ' VAL . 13.7 m -117.17 132.15 56.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 64.5 m-85 -133.06 169.82 16.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.85 173.82 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.55 -15.75 33.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 t -95.96 -25.86 15.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.452 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.0 m170 -119.4 23.74 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -71.75 -29.01 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -68.24 146.27 97.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.945 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.7 -43.11 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 9.5 pt-20 -57.21 -37.21 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 87.3 t -56.86 -54.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.636 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.7 p-80 -97.2 36.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.14 66.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.853 0.359 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.48 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 16.4 t -42.8 159.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 45.9 m -103.39 1.94 33.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.502 HG11 ' CE1' ' A' ' 42' ' ' HIS . 41.4 t -115.43 -44.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 30.3 p -128.68 2.96 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 42.74 54.95 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.6 ptmt -87.27 40.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LYS . 12.5 mtt180 34.42 44.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.923 0.392 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 ttt -89.57 98.5 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 t -50.49 173.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 3.4 ptp180 -76.7 -40.11 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 p -48.98 -32.84 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.86 34.4 1.06 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -131.72 165.78 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.11 125.87 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 79.2 m-85 -122.48 177.87 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 9.1 p -94.17 177.73 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.44 -20.8 61.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -95.4 -27.71 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.502 ' CE1' HG11 ' A' ' 20' ' ' VAL . 33.4 m170 -112.07 22.27 14.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -70.26 -31.13 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -67.38 147.69 98.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 -42.46 3.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.641 2.227 . . . . 0.0 112.375 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 8.1 pt-20 -56.45 -36.67 69.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 90.2 t -58.46 -52.74 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.655 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 24.9 p-80 -99.21 33.67 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.33 64.27 0.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.1 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -49.87 129.3 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.505 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 14.9 m -76.8 9.36 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 38' ' ' PHE . 43.0 t -116.69 -49.39 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -123.2 -8.98 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.445 ' N ' ' CD ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 55.7 55.01 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -91.01 37.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.9 mpt_? 36.44 43.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 37' ' ' THR . 32.9 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.4 ttt -115.56 97.35 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.37 161.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.33 -43.99 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.99 -32.06 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.87 39.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -136.12 167.77 20.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.479 HG21 ' CG2' ' A' ' 25' ' ' VAL . 11.8 m -116.15 133.14 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 75.5 m-85 -135.42 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' HIS . 22.7 p -94.22 154.2 17.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.19 -22.49 0.12 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' CYS . 45.5 t -89.36 -34.71 16.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.1 m170 -109.48 24.82 12.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -71.76 -31.02 66.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -65.53 147.65 98.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.702 0.763 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.558 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.81 -44.21 2.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.49 -40.02 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.24 -52.96 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.597 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.0 p-80 -99.57 34.74 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.74 63.93 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.83 0.348 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 22' ' ' ARG . 35.1 t -51.46 127.4 19.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -75.54 8.55 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 38' ' ' PHE . 43.0 t -116.79 -45.38 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -126.4 -8.14 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' CYS . 18.1 mmt180 53.53 55.04 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -95.44 39.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.45 54.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.423 ' CG2' HG22 ' A' ' 37' ' ' THR . 19.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -91.25 96.98 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -47.0 167.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.45 -40.11 67.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -48.16 -32.16 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.01 36.36 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -134.1 168.41 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.423 HG22 ' CG2' ' A' ' 25' ' ' VAL . 9.1 m -116.55 136.14 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 76.0 m-85 -136.19 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 42' ' ' HIS . 25.5 p -93.37 156.92 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.73 -20.95 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -91.93 -30.36 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.4 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.453 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 38.7 m170 -112.8 23.13 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -70.98 -26.07 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB2' ' CG2' ' A' ' 47' ' ' VAL . 95.4 m-85 -68.68 147.94 98.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.548 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -41.48 4.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.72 -37.18 78.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.434 HG11 ' CD2' ' A' ' 42' ' ' HIS . 63.9 t -57.55 -49.28 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.642 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 20.3 p-80 -102.43 31.35 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.41 67.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.539 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.868 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.8 t -53.73 126.58 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -75.64 8.75 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 52.6 t -116.86 -45.81 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -126.62 -7.43 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 53.51 55.01 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 7.8 ptmt -94.02 33.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.8 ptt180 33.43 45.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -118.79 99.84 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -50.13 165.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -70.33 -44.05 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 p -44.49 -33.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 38.39 0.84 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -132.98 175.78 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 111.167 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.4 m -124.54 133.76 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.761 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.4 m-85 -135.88 175.75 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.418 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.7 p -93.44 172.3 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.02 -17.45 36.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -97.26 -24.11 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.466 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 41.1 m170 -118.18 24.02 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -72.3 -29.0 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -68.19 146.74 98.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.7 -42.36 3.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.74 -38.33 72.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 81.5 t -56.06 -56.66 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.761 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 24.2 p-80 -94.25 35.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.51 67.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.6 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.945 0.403 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' ARG . 23.2 t -50.7 127.05 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.3 m -75.62 8.38 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.486 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 78.9 t -118.6 -42.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 27.1 p -129.83 -5.16 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 50.24 54.45 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 11.1 ptpt -94.58 38.33 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.6 52.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.791 0.329 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -79.73 106.18 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 t -56.33 176.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -79.52 -36.74 38.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -53.17 -29.93 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.35 34.37 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.442 ' OG1' ' CE2' ' A' ' 38' ' ' PHE . 15.1 p -132.77 164.99 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.153 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 m -112.65 133.33 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CE2' ' OG1' ' A' ' 36' ' ' THR . 56.5 m-85 -136.81 175.66 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' ARG . 29.4 p -97.09 166.47 11.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.46 -23.87 10.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.6 m -89.07 -26.35 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.486 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 49.0 m170 -118.96 24.37 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 6.2 ptm180 -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.426 ' HB2' ' CG2' ' A' ' 47' ' ' VAL . 97.1 m-85 -67.96 147.23 98.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.959 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.542 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.76 -42.7 3.17 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.646 2.231 . . . . 0.0 112.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.65 -40.24 87.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 44' ' ' TYR . 74.9 t -55.86 -52.17 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 14.2 p-80 -97.64 36.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.32 73.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' ARG . 31.0 t -48.83 127.22 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -74.77 7.5 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 39.6 t -114.3 -46.32 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 p -127.78 -7.68 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.5 mmt85 54.73 54.68 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -92.46 34.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.0 ptt85 32.53 50.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -118.21 96.23 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.7 t -45.79 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.9 ptt85 -73.11 -39.81 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.0 p -48.04 -34.16 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 34.77 1.01 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 p -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.6 m -113.14 134.61 54.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.646 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 57.9 m-85 -138.22 176.9 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' HIS . 28.5 p -97.51 157.05 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.48 -21.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' CYS . 26.2 t -91.92 -30.67 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.848 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' CYS . 38.6 m170 -113.24 24.68 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -72.12 -29.24 63.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -67.42 147.58 98.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.69 0.757 . . . . 0.0 110.89 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.8 -43.97 2.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -55.69 -40.56 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.79 -51.92 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.646 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 21.4 p-80 -100.24 33.96 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.01 63.95 0.29 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.457 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.928 0.394 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 20.2 t -45.05 146.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.3 m -92.46 1.64 57.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.451 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 53.8 t -110.43 -47.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -128.5 -0.32 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 47.45 55.02 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -85.07 23.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 48.14 54.28 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' CG2' HG23 ' A' ' 37' ' ' THR . 20.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE2' ' CA ' ' A' ' 40' ' ' GLY . 65.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -69.82 119.62 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -75.91 172.14 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 12.9 ptt180 -70.38 -45.52 65.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 p -44.16 -32.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.83 31.93 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 p -129.89 172.0 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.411 HG23 ' CG2' ' A' ' 25' ' ' VAL . 10.7 m -118.67 130.14 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 61.9 m-85 -131.06 176.81 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 43' ' ' ARG . 13.0 p -97.18 173.03 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' CE2' ' A' ' 30' ' ' PHE . . . -55.8 -26.91 48.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.438 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.44 -29.73 21.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.451 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 16.7 m170 -113.45 22.15 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.3 ptt180 -71.44 -32.44 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -66.15 149.71 97.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.684 0.755 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.8 -43.46 2.62 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.86 -49.67 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.8 p-80 -101.04 34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.93 72.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' CYS . 38.8 mtt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.4 t -35.35 128.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -72.3 4.01 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.413 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 79.6 t -111.88 -46.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.48 -10.17 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt85 55.36 55.02 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 10.5 ptmt -89.26 27.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.4 ptm180 43.9 33.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ARG . 26.6 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 43' ' ' ARG . 1.4 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.7 ttt -47.36 99.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.9 t -57.84 172.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.83 -41.51 64.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.46 -31.22 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 39.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -138.3 158.57 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 111.148 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.403 HG21 ' CG2' ' A' ' 25' ' ' VAL . 2.5 m -108.53 127.97 54.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -129.35 174.57 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.429 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.0 p -96.47 157.01 16.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.0 -22.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 t -89.35 -33.84 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.413 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 45.6 m170 -111.02 24.32 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 17.8 ptt180 -75.03 -26.82 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HB2' ' CG2' ' A' ' 47' ' ' VAL . 25.0 m-85 -65.11 145.69 99.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.706 0.765 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.2 Cg_endo -69.77 -31.02 21.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 47' ' ' VAL . 7.9 pm0 -70.4 -28.84 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.459 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 60.9 t -67.51 -51.58 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 6.3 p-80 -93.74 -14.09 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' PRO . . . 79.02 88.06 0.48 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 1.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 mtt180 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' ARG . 18.2 t -50.4 121.49 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -71.69 4.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 44.6 t -111.43 -48.29 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -123.42 -8.07 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt85 53.75 52.86 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -87.61 23.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 0.9 OUTLIER 38.98 48.24 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.86 99.34 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.79 169.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 11.5 ptt180 -75.12 -38.06 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.8 p -50.63 -31.49 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -133.74 174.28 10.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.089 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.5 m -122.13 137.5 54.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 70.3 m-85 -141.23 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ARG . 30.9 p -96.55 169.1 10.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.21 -22.2 13.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.1 m -88.19 -29.73 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.5 m170 -118.86 24.83 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.6 ptt180 -73.3 -32.34 64.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -63.33 148.81 92.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 -44.85 1.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.27 -40.63 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.6 t -54.48 -50.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 16.7 p-80 -101.19 35.56 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.0 67.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.465 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 35.0 t -57.27 124.77 20.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -73.55 8.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.471 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 66.8 t -118.81 -45.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -127.11 -5.26 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 49.35 54.88 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -92.04 32.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 43.17 37.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 37' ' ' THR . 34.4 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -118.73 103.5 9.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -53.22 168.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -73.5 -41.1 63.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -45.84 -36.97 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.68 39.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -136.58 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.18 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.466 HG21 ' CG2' ' A' ' 25' ' ' VAL . 7.5 m -119.15 135.71 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.407 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.9 m-85 -137.32 174.59 10.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.447 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 24.6 p -90.79 175.74 6.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.88 -20.46 62.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -94.1 -25.62 17.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.471 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 51.4 m170 -116.33 23.55 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -72.34 -32.19 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -66.92 150.05 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.567 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -42.96 2.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.33 -37.74 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.04 -52.14 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 25.5 p-80 -100.16 38.13 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.01 62.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -76.84 104.04 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -135.53 172.86 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.45 -46.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -172.69 136.25 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -110.89 109.09 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.31 -131.83 4.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -159.74 137.3 7.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 79.87 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 0.0 112.402 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 m -125.28 75.68 68.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.28 64.53 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.635 2.223 . . . . 0.0 112.389 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 82.7 0.73 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.745 2.296 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -62.12 -74.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 11.7 tpt180 -134.65 54.99 12.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.6 Cg_endo -69.82 125.12 11.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -134.24 133.01 40.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -130.55 132.21 45.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' ARG . 27.5 t -54.25 126.31 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -74.71 6.64 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 46.0 t -114.96 -44.67 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.38 -3.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.1 mmt180 49.32 55.01 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -85.28 15.46 4.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 3.1 mpt_? 58.99 37.83 24.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -39.61 154.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.28 -70.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mp -42.3 -49.18 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t -134.45 35.17 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.15 157.58 46.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -129.56 117.38 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttt -88.52 98.61 11.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 t -48.49 165.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -70.44 -43.31 70.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 p -46.21 -34.0 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.88 39.08 0.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -136.31 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.164 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -118.9 132.97 56.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.514 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.7 m-85 -134.94 175.17 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.435 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 27.6 p -95.62 157.28 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.31 -21.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -90.46 -30.85 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.442 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.5 m170 -114.97 26.61 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.53 -27.08 61.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -67.12 147.42 99.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.676 0.751 . . . . 0.0 110.93 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.562 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.8 -43.01 2.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.42 -38.8 78.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.16 -48.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 18.7 p-80 -103.13 31.38 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 35.38 70.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.459 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t -49.72 118.92 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 52' ' ' PHE . 24.0 p -111.66 41.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' THR . 27.3 t80 -35.39 110.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -88.06 107.01 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -104.93 166.38 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 pttm 38.62 37.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -117.54 42.24 2.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.27 123.7 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.142 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -123.58 54.14 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.5 p -153.53 164.75 37.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.19 156.24 1.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.88 26.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.633 2.222 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 m -68.73 173.8 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.8 t -173.73 169.17 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.477 -179.98 . . . . . . . . 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 -0.349 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 p -98.97 152.89 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -39.99 -37.65 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.23 -173.16 15.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -41.4 120.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.2 p -140.93 153.75 45.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.62 99.45 1.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -123.58 99.13 39.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.938 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 163.29 38.81 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 80.4 p 44.35 52.08 9.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 10' ' ' SER . 53.5 Cg_endo -69.81 141.52 45.24 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 85.62 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -63.85 -75.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 47.9 ttm-85 -134.98 55.8 14.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.1 Cg_endo -69.77 114.6 3.76 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.88 119.78 23.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -115.29 133.63 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -54.51 128.04 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -76.4 9.39 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 38' ' ' PHE . 72.3 t -119.3 -44.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -125.95 -8.01 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 52.38 54.94 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.1 ptmt -92.99 37.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.5 mmt85 34.91 43.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 ' CG2' ' A' ' 37' ' ' THR . 21.6 m -44.41 115.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.83 -56.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.45 -40.54 42.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.913 0.387 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.2 p -113.63 46.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.61 117.44 4.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -107.8 108.39 19.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -82.52 100.06 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -52.18 172.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -73.79 -45.99 48.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -42.25 -35.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.07 32.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 p -130.16 175.21 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.415 ' CG2' HG22 ' A' ' 25' ' ' VAL . 17.4 m -124.34 137.73 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 73.4 m-85 -138.48 173.78 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.424 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.5 p -89.58 175.44 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.5 -18.75 56.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 t -95.4 -26.32 15.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -115.86 24.24 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -72.51 -31.55 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -64.87 149.95 95.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 -43.27 2.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -40.75 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.2 t -54.64 -50.82 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.607 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 p-80 -101.52 35.49 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.62 67.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.4 t -53.69 149.82 7.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 t -135.23 106.86 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -77.52 147.59 35.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -79.25 80.96 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -39.96 111.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.31 88.04 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 m -75.32 160.35 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.68 93.46 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.12 -116.6 1.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 t -123.52 132.19 53.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.91 135.39 12.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.449 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 139.46 40.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.74 2.293 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.7 t -87.26 91.75 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 m -63.95 -44.84 91.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.479 -179.984 . . . . . . . . 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 -0.317 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -119.16 95.41 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -93.02 162.31 14.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.77 136.51 12.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -68.33 120.75 14.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -121.01 86.64 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.45 112.92 0.54 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.428 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -107.83 77.94 0.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 125.93 12.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 0.0 112.39 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.3 t -113.82 106.81 53.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.701 0.762 . . . . 0.0 110.803 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.51 48.16 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.388 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 81.58 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.13 -75.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -135.01 56.79 17.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 99.73 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -83.51 137.47 33.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -131.42 128.18 38.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 19.6 t -52.08 124.59 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -73.62 5.79 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -114.96 -43.19 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -128.33 -6.25 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 35.9 mmm-85 50.69 54.79 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.67 38.07 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' GLY . 5.0 mpt_? 33.86 40.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' ARG . 25.6 m -35.45 -33.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 52.44 -158.39 3.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -47.57 -38.39 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -79.08 45.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.95 -178.66 15.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -125.06 120.2 30.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -93.26 99.34 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -50.83 171.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -73.42 -44.56 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 p -42.91 -33.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 30.74 1.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 p -130.22 177.89 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.7 m -127.83 139.74 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 66.1 m-85 -138.12 178.0 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.402 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.7 p -94.4 175.03 6.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.35 -18.45 50.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -97.14 -25.19 15.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' PHE . 41.4 m170 -115.9 23.73 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -73.46 -27.38 61.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' HB2' ' CG2' ' A' ' 47' ' ' VAL . 89.4 m-85 -66.31 147.08 99.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.681 0.753 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.563 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.77 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.76 -40.06 82.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 44' ' ' TYR . 84.7 t -55.21 -52.06 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.75 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 14.5 p-80 -98.35 32.15 2.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.45 69.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.5 t -47.71 144.37 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -94.52 -42.79 8.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 52' ' ' PHE . 4.4 t80 -73.32 114.89 12.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -131.87 43.79 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -117.76 78.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 99.85 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.0 p -54.72 -32.71 60.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.14 112.61 5.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' SER . . . -122.11 -166.21 12.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' GLY . 78.1 p -36.49 142.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.95 0.405 . . . . 0.0 110.816 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.7 87.55 0.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 100.53 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.6 t -132.2 98.77 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.1 p -86.21 135.03 33.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.504 -179.982 . . . . . . . . 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 1.45 -0.373 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -79.92 -58.25 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.1 p -111.41 162.97 14.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.45 139.62 5.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -160.39 111.62 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 110.808 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -118.54 151.09 38.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . 64.89 83.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 45.4 mt-30 -36.87 137.41 0.56 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 104.15 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -165.46 133.48 2.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.59 13.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 106.71 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -90.38 39.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 13.4 mmt-85 61.45 54.97 3.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.715 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.5 Cg_endo -69.82 94.98 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -63.78 128.22 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -141.88 133.45 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 13.6 t -49.48 129.33 18.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.561 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 22.8 m -75.5 7.05 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.545 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 53.7 t -115.71 -49.82 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.99 -3.41 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 6.3 mmm180 49.01 55.03 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -85.7 23.56 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 50.85 54.77 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.47 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 28.2 m -56.65 120.47 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -93.54 -150.09 26.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 tp -40.05 -55.55 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' GLY . 36.4 p -53.48 -33.91 56.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' GLY . . . -36.06 141.4 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -102.82 148.19 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -117.57 103.89 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 t -54.52 168.47 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -72.21 -43.82 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 p -45.68 -34.26 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.96 38.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 p -133.34 164.18 27.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.17 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -115.02 129.06 56.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 84.7 m-85 -129.68 -178.4 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' ARG . 31.0 p -106.82 164.94 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.29 -20.12 3.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -91.21 -25.07 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.545 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 31.9 m170 -125.76 26.0 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' CYS . 18.9 ptt180 -72.61 -27.33 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.94 148.03 96.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.554 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.77 -43.88 2.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.65 -36.88 70.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.07 -52.64 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.634 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 22.8 p-80 -99.04 32.83 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.47 65.0 0.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.46 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.3 t -41.23 159.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' CYS . 46.2 p -34.55 -49.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -44.87 114.84 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.82 127.43 34.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 18.0 p90 -123.07 75.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -93.16 119.24 32.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.3 p -79.0 107.04 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.04 127.03 29.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.68 -130.52 1.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.8 p -110.08 106.39 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.79 171.88 55.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.42 8.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -92.75 85.16 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -92.21 174.8 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.475 -179.979 . . . . . . . . 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 1.45 -0.371 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -154.57 156.63 36.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.355 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -71.04 -46.23 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.54 156.52 24.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -60.52 128.2 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 m -99.38 132.81 44.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.52 120.56 3.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -119.91 131.07 24.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.85 8.54 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.6 p -64.79 143.42 98.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.697 0.76 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 114.57 3.74 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HB2' ' CD ' ' A' ' 15' ' ' PRO . 53.3 Cg_endo -69.74 128.09 15.55 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.38 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.13 50.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.463 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 83.9 mtm-85 58.37 53.1 5.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.3 Cg_endo -69.73 96.36 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -71.04 106.31 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 24' ' ' ARG . 67.3 mtt-85 -122.93 133.93 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.4 t -43.77 126.92 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.404 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 34.7 m -74.15 5.64 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.467 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 75.2 t -115.02 -45.69 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -125.65 -7.27 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.5 mmt180 49.6 54.98 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HD2' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -89.63 25.27 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 26' ' ' GLY . 12.8 ptt180 44.28 47.93 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' A' ' 23' ' ' LYS . 32.5 m -38.33 -26.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 81.06 -161.72 43.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.2 mt -71.19 -35.65 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.6 p -84.86 44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.29 -173.06 33.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -113.39 103.14 10.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.57 96.2 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 t -45.79 170.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -74.48 -42.4 59.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.0 p -45.64 -31.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 35.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 p -134.49 166.8 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -114.69 133.28 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 65.2 m-85 -136.37 177.77 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' ARG . 25.5 p -102.0 163.97 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.53 -24.34 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -88.52 -23.2 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.467 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.8 m170 -124.33 23.83 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 ptm180 -73.01 -31.86 64.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.73 147.92 92.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.969 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.12 -37.98 75.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.24 -54.53 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.0 p-80 -94.72 33.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.62 74.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.6 t -61.15 123.31 17.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.5 p 40.51 41.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -85.1 172.22 11.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 81.18 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -112.03 177.38 4.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -114.96 92.5 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.0 m -160.86 166.0 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.72 102.25 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.49 114.72 5.83 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -107.86 142.91 37.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.16 154.83 16.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 116.91 4.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.9 t -50.13 153.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.3 m -90.01 156.96 18.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.517 179.984 . . . . . . . . 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 1.452 -0.281 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -94.66 89.31 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -78.08 -48.71 15.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.61 81.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -123.74 135.31 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -156.79 140.41 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.38 122.76 5.89 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.24 150.21 91.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.962 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 93.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.7 p -68.03 152.51 96.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 110.815 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.4 32.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 119.54 6.47 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -82.9 38.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 26.9 ttm-85 74.21 52.45 0.25 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.8 Cg_endo -69.74 95.65 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -106.85 126.78 52.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -111.79 129.03 56.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.1 t -42.1 156.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.579 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 31.6 m -100.37 1.07 41.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.536 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 39.6 t -114.6 -44.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.79 4.72 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.473 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 40.02 54.69 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.4 ptpt -89.84 44.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.534 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.7 ttt180 27.36 52.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 34.5 m -49.57 101.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.06 -92.93 2.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tp -44.35 -38.46 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.387 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -122.56 89.21 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.55 119.89 3.02 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -102.75 117.82 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttt -91.84 98.36 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.84 169.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -73.33 -43.4 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.08 -32.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.73 35.72 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 p -133.84 161.37 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 m -112.99 125.35 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 93.0 m-85 -121.55 173.88 7.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -92.24 175.58 6.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.53 -19.46 53.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 28.1 m170 -112.84 20.05 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.75 -33.41 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -65.86 147.09 98.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.727 0.775 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -55.41 -39.39 70.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.29 -52.88 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.65 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.9 p-80 -99.76 37.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.09 65.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.0 t -50.09 154.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 t -151.18 110.51 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -100.08 122.16 42.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.86 112.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -112.04 125.86 54.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -93.0 167.44 11.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 t -74.93 137.12 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.72 125.2 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' SER . . . -128.99 41.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' GLY . 9.2 t -35.49 125.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.869 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.66 -94.85 1.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 158.23 57.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -173.6 167.71 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 m -54.15 159.97 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.544 179.982 . . . . . . . . 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 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -119.25 96.57 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -112.76 132.05 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.24 -168.16 32.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 m -116.84 153.4 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -68.62 134.67 50.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.38 -109.5 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 39.2 mt-30 39.04 54.88 5.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 8' ' ' GLN . 53.9 Cg_endo -69.71 155.22 66.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.9 t -95.31 144.51 27.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.65 67.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 93.51 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' ARG . 5.0 mm-40 -75.64 79.68 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 10.5 tpp180 36.26 51.72 1.78 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.0 Cg_endo -69.77 91.3 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.64 2.227 . . . . 0.0 112.358 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -99.15 137.74 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 -139.37 126.52 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.483 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 11.9 t -41.1 156.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.569 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.5 m -101.27 0.24 36.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.413 ' HB ' ' ND1' ' A' ' 42' ' ' HIS . 70.5 t -112.58 -43.42 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 31.2 p -130.91 4.8 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 41.8 54.81 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.9 ptmt -86.94 38.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.8 mtp85 33.34 45.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 m -39.49 -34.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' THR . . . 69.86 161.94 3.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' GLY . 6.1 tt -34.17 -36.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' GLY . 38.5 p -79.61 45.53 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.19 -170.35 15.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -110.49 103.69 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.1 ttt -86.08 104.91 16.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -56.18 177.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 25.0 ptt180 -78.82 -45.0 21.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.6 p -42.59 -35.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.72 35.04 0.87 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 p -133.8 165.52 24.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -111.3 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 66.9 m-85 -128.33 174.37 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 20.9 p -96.49 156.81 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.08 -22.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.4 t -88.96 -36.02 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.413 ' ND1' ' HB ' ' A' ' 20' ' ' VAL . 25.7 m170 -108.73 25.49 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -74.37 -30.08 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -68.01 148.84 98.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.778 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.8 -44.21 2.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -53.42 -41.49 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.1 -56.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 23.7 p-80 -95.16 30.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.05 73.57 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.448 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.477 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.4 t -54.4 115.27 2.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 t -66.66 -25.09 66.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -78.75 113.28 16.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -108.11 131.28 54.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -103.28 129.63 50.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -48.93 141.06 8.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 m -128.35 97.61 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.26 162.7 38.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.91 142.11 12.28 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -54.4 123.06 11.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.949 0.404 . . . . 0.0 110.823 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.44 -95.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 92.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.288 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t -101.35 138.21 38.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -93.78 156.16 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.078 -0.845 . . . . 0.0 112.486 -179.985 . . . . . . . . 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 -0.364 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p -48.05 -54.13 14.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -103.97 160.49 14.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.53 111.64 0.97 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -174.69 151.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' GLY . 8.3 t -87.5 84.66 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 38.16 -143.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -128.33 139.56 35.83 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.48 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.3 m -137.74 139.94 28.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 168.28 22.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.653 2.236 . . . . 0.0 112.355 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 85.39 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.27 . . . . 0.0 112.382 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.63 -76.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 51.0 ttp180 -134.82 54.53 11.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.2 Cg_endo -69.81 101.42 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -141.36 110.81 6.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -125.46 125.94 44.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.475 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 21.1 t -41.9 149.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.586 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 27.7 m -94.52 1.97 55.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.11 -47.43 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.03 -2.1 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 48.74 53.82 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -86.41 39.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 30.6 51.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 37' ' ' THR . 35.4 m -53.36 121.41 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.94 -137.0 4.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.1 mt -49.21 -52.19 28.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 58.7 p -53.65 -33.88 56.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' CA ' ' HB ' ' A' ' 25' ' ' VAL . . . -39.47 132.07 2.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 28' ' ' THR . 24.8 m-85 -101.84 151.25 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.8 ttt -118.14 101.36 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.7 172.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 24.7 ptt180 -78.39 -36.42 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.3 p -51.91 -30.89 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 38.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 p -135.72 165.83 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 25' ' ' VAL . 13.3 m -113.92 129.55 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 84.7 m-85 -130.17 174.0 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 42' ' ' HIS . 21.7 p -96.34 153.99 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.1 -24.68 0.1 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' CYS . 15.7 t -86.91 -35.63 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' CYS . 18.9 m170 -109.48 23.37 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.67 -33.25 72.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.51 150.07 94.17 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.687 0.756 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.77 -45.99 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -54.72 -41.61 70.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.2 t -53.04 -44.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 26.8 p-80 -110.14 36.45 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.32 65.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.46 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 12.9 t -46.95 127.34 9.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -162.08 123.1 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -82.15 37.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER 30.36 39.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.9 p90 -73.88 140.41 45.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -145.68 130.36 17.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -107.4 86.93 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.27 175.51 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.39 -78.69 0.74 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.8 p -81.96 80.87 8.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.6 -102.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 144.1 52.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -127.1 127.68 45.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.3 t -79.88 45.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 63' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 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 -0.312 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -95.19 102.45 14.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.813 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.4 m -129.83 123.23 30.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.19 90.56 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -59.75 100.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -108.35 154.1 22.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.0 161.65 21.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -107.88 120.99 45.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.74 48.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -56.87 148.87 46.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.91 4.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 99.76 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.37 37.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 21.4 mtm180 61.22 54.94 3.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.722 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.8 Cg_endo -69.75 100.73 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -89.36 122.73 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -120.1 127.24 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.47 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 14.0 t -39.85 157.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.576 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.9 m -101.79 1.43 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 53.5 t -114.3 -44.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -129.11 5.22 5.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.473 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.6 ptpt -87.62 41.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.1 ttm-85 27.57 49.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -36.35 -32.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 48.29 -152.06 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' GLY . 4.6 mm? -37.1 -53.21 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.916 0.389 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.8 p -76.99 63.42 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -120.76 168.26 14.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 29' ' ' GLY . 22.9 m-85 -133.88 102.18 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.3 ttt -78.87 99.44 6.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.5 t -51.14 178.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -78.83 -42.93 26.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.72 -31.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 40.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.33 166.1 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.163 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 m -111.66 130.24 55.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.576 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 87.6 m-85 -129.39 175.69 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.7 p -97.55 170.64 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.49 -20.83 32.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.3 t -93.56 -25.89 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.466 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 27.1 m170 -117.36 21.21 13.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.7 ptt180 -72.44 -31.67 65.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -62.85 144.8 96.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.671 0.748 . . . . 0.0 110.948 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.469 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.6 Cg_endo -69.77 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -37.33 83.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.9 t -60.9 -57.92 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 10.7 p-80 -90.5 31.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 36.33 78.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t -70.38 126.65 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.7 p -107.76 83.07 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -71.33 125.46 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -76.24 129.23 36.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -61.0 171.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -90.29 -61.73 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.2 m -69.86 120.03 14.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.43 78.62 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.85 -171.78 42.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.515 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 m 59.54 42.5 17.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.965 0.412 . . . . 0.0 110.887 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.57 177.7 32.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -43.77 164.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.4 p -102.97 -51.38 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.497 179.979 . . . . . . . . 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 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -136.09 166.32 23.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -105.81 160.52 15.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.53 82.43 0.81 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -58.35 -52.28 66.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -60.17 144.78 49.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.78 137.51 13.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -83.75 139.23 40.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.14 61.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.0 p -109.65 121.7 41.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.682 0.753 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 147.99 64.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.248 . . . . 0.0 112.3 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 85.89 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.64 2.227 . . . . 0.0 112.323 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -82.56 48.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER 61.42 51.97 2.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.6 Cg_endo -69.84 96.18 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -104.46 125.89 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -134.68 131.09 37.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.472 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.4 t -56.63 125.39 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 m -74.98 6.8 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 38' ' ' PHE . 55.7 t -116.98 -43.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -129.65 -2.98 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 15.3 mmt180 45.79 51.82 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -85.03 18.1 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.6 mpt_? 55.92 44.61 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 27.8 m -35.03 129.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.88 -113.46 3.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -36.94 76.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.4 p -89.56 35.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.51 106.99 3.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -94.77 112.9 24.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.0 ttt -90.2 99.31 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 t -47.72 169.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 4.8 ptp180 -76.19 -36.13 58.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.5 p -52.39 -32.8 40.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.25 40.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 p -137.94 166.47 23.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 0.0 111.187 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.43 HG21 ' CG2' ' A' ' 25' ' ' VAL . 13.7 m -117.17 132.15 56.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 64.5 m-85 -133.06 169.82 16.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.85 173.82 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.55 -15.75 33.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 t -95.96 -25.86 15.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.452 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.0 m170 -119.4 23.74 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -71.75 -29.01 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -68.24 146.27 97.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.945 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.7 -43.11 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 9.5 pt-20 -57.21 -37.21 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 87.3 t -56.86 -54.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.636 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.7 p-80 -97.2 36.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.14 66.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.9 t -42.58 157.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 t -131.94 104.28 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' ASP . 17.4 t80 -132.19 132.72 43.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' PHE . 9.4 t70 -37.09 115.21 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -72.12 159.87 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -77.55 91.26 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.4 p -108.02 138.93 43.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.46 -52.33 2.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 145.61 -164.43 28.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -115.67 142.22 47.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.834 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.72 -169.47 41.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 179.55 3.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.244 . . . . 0.0 112.306 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -89.34 113.29 24.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.7 p -135.93 112.26 9.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.505 179.99 . . . . . . . . 0 0 . 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 -0.291 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -108.61 130.83 55.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -161.23 139.09 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.87 103.05 0.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -53.87 132.19 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 m -73.2 129.32 37.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.41 -171.14 14.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -145.14 137.75 13.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.914 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 127.71 14.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.6 t -124.87 142.41 40.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 165.2 31.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.39 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.53 17.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -81.22 45.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 9.2 mmm180 58.38 52.06 4.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.581 0.705 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.2 Cg_endo -69.79 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.347 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -117.9 114.59 23.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -120.57 124.92 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.48 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 16.4 t -42.8 159.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 45.9 m -103.39 1.94 33.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.502 HG11 ' CE1' ' A' ' 42' ' ' HIS . 41.4 t -115.43 -44.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 30.3 p -128.68 2.96 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 42.74 54.95 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.6 ptmt -87.27 40.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LYS . 12.5 mtt180 34.42 44.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.1 m -42.37 117.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.9 -76.7 0.78 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.17 -38.5 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.6 p -98.34 40.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.74 102.92 2.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -93.05 118.59 31.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.923 0.392 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 ttt -89.57 98.5 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 t -50.49 173.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 3.4 ptp180 -76.7 -40.11 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 p -48.98 -32.84 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.86 34.4 1.06 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -131.72 165.78 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.11 125.87 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 79.2 m-85 -122.48 177.87 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 9.1 p -94.17 177.73 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.44 -20.8 61.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -95.4 -27.71 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.502 ' CE1' HG11 ' A' ' 20' ' ' VAL . 33.4 m170 -112.07 22.27 14.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -70.26 -31.13 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -67.38 147.69 98.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 -42.46 3.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.641 2.227 . . . . 0.0 112.375 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 8.1 pt-20 -56.45 -36.67 69.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 90.2 t -58.46 -52.74 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.655 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 24.9 p-80 -99.21 33.67 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.33 64.27 0.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.1 t -42.11 120.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.0 p -68.37 79.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.02 142.23 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 54' ' ' PHE . 8.0 m-20 -112.89 39.41 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' A' ' 53' ' ' ASP . 17.3 m-85 28.22 51.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -91.84 173.49 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 m -96.65 173.16 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.03 -61.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.2 49.92 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 p -52.14 175.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.43 -167.26 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.75 5.81 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' PRO . 2.5 t -30.36 96.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 61' ' ' PRO . 72.9 m -72.96 124.46 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.475 -179.966 . . . . . . . . 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 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -159.12 123.51 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -160.7 145.06 13.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.78 176.95 28.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -157.31 107.75 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -93.83 133.75 36.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.92 -108.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.412 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 9.6 tp60 -139.28 106.8 7.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 8' ' ' GLN . 54.1 Cg_endo -69.75 147.97 64.08 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.46 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 9.3 t 60.74 53.61 3.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.669 0.747 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 10' ' ' SER . 54.6 Cg_endo -69.7 133.23 25.17 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.293 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 105.61 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ARG . 8.3 mm-40 -78.26 78.68 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 40.7 mmt180 37.43 54.94 3.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.6 Cg_endo -69.77 151.07 68.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -57.92 145.59 35.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -135.66 128.0 30.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -49.87 129.3 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.505 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 14.9 m -76.8 9.36 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 38' ' ' PHE . 43.0 t -116.69 -49.39 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -123.2 -8.98 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.445 ' N ' ' CD ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 55.7 55.01 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -91.01 37.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.9 mpt_? 36.44 43.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 37' ' ' THR . 32.9 m -47.4 111.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.74 -133.64 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.57 -51.9 63.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.903 0.382 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.3 p -50.42 -37.38 37.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.58 147.18 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -113.15 152.89 29.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.4 ttt -115.56 97.35 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.37 161.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.33 -43.99 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.99 -32.06 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.87 39.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -136.12 167.77 20.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.479 HG21 ' CG2' ' A' ' 25' ' ' VAL . 11.8 m -116.15 133.14 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 75.5 m-85 -135.42 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' HIS . 22.7 p -94.22 154.2 17.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.19 -22.49 0.12 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' CYS . 45.5 t -89.36 -34.71 16.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.1 m170 -109.48 24.82 12.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -71.76 -31.02 66.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -65.53 147.65 98.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.702 0.763 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.558 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.81 -44.21 2.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.49 -40.02 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.24 -52.96 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.597 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.0 p-80 -99.57 34.74 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.74 63.93 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t -39.44 138.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 t -136.27 105.2 5.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -107.57 108.78 20.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.75 111.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.57 97.83 11.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -39.12 145.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.0 t -163.59 147.46 10.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.09 -48.28 7.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.17 50.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.9 m -77.18 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' A' ' 62' ' ' SER . . . 103.05 145.11 14.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 15.37 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.403 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 60' ' ' GLY . 1.8 m 63.52 43.3 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' SER . 50.1 p 35.38 42.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.45 -179.973 . . . . . . . . 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 -0.301 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 56.65 42.14 27.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -101.07 164.86 11.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.61 -139.72 7.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -73.66 84.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -58.46 -53.94 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.91 -111.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 18.3 mm-40 39.55 54.16 5.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 8' ' ' GLN . 54.3 Cg_endo -69.7 1.31 4.51 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 p -90.22 115.7 64.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.684 0.754 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 88.38 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' ARG . 13.1 pt20 -94.17 84.6 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 57.4 ttt180 36.52 52.6 2.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.698 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.2 Cg_endo -69.76 123.38 10.04 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -69.71 102.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -110.97 130.45 55.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 22' ' ' ARG . 35.1 t -51.46 127.4 19.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -75.54 8.55 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 38' ' ' PHE . 43.0 t -116.79 -45.38 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -126.4 -8.14 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' CYS . 18.1 mmt180 53.53 55.04 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -95.44 39.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.45 54.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' CG2' HG22 ' A' ' 37' ' ' THR . 19.4 m -51.69 163.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.23 -129.15 1.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -43.73 -43.78 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' GLY . 25.2 p -73.12 -38.99 66.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 28' ' ' THR . . . -35.79 145.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 28' ' ' THR . 31.1 m-85 -120.31 125.4 47.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -91.25 96.98 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -47.0 167.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.45 -40.11 67.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -48.16 -32.16 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.01 36.36 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -134.1 168.41 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.423 HG22 ' CG2' ' A' ' 25' ' ' VAL . 9.1 m -116.55 136.14 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 76.0 m-85 -136.19 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 42' ' ' HIS . 25.5 p -93.37 156.92 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.73 -20.95 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -91.93 -30.36 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.4 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.453 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 38.7 m170 -112.8 23.13 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -70.98 -26.07 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB2' ' CG2' ' A' ' 47' ' ' VAL . 95.4 m-85 -68.68 147.94 98.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.548 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -41.48 4.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.72 -37.18 78.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.434 HG11 ' CD2' ' A' ' 42' ' ' HIS . 63.9 t -57.55 -49.28 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.642 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 20.3 p-80 -102.43 31.35 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.41 67.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.539 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.53 136.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -83.95 40.02 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -79.45 115.54 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -85.68 105.58 16.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -57.43 177.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -83.4 127.83 34.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' ALA . 93.6 p -155.23 176.91 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' SER . . . -34.45 137.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.24 155.09 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -141.21 110.61 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.82 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 61' ' ' PRO . . . -89.73 -132.04 4.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 60' ' ' GLY . 54.0 Cg_endo -69.79 98.26 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 t -80.63 45.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.8 p -116.39 90.07 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.459 -179.991 . . . . . . . . 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 1.45 -0.374 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -114.79 92.26 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -99.37 142.43 30.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.54 167.89 24.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -156.42 162.4 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -172.08 151.32 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.08 141.56 5.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -53.58 130.16 54.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -36.46 10.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.617 2.212 . . . . 0.0 112.318 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.438 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 88.6 p 49.47 55.04 16.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.748 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 10' ' ' SER . 53.4 Cg_endo -69.75 117.42 5.07 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 95.4 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -95.65 81.34 3.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 4.2 tpm_? 40.4 54.02 6.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.5 Cg_endo -69.8 130.28 19.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -118.96 89.59 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 -102.15 143.2 32.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.8 t -53.73 126.58 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -75.64 8.75 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 52.6 t -116.86 -45.81 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -126.62 -7.43 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 53.51 55.01 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 7.8 ptmt -94.02 33.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' GLY . 5.8 ptt180 33.43 45.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' CG2' ' HA3' ' A' ' 29' ' ' GLY . 31.5 m -38.88 -27.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 72.02 -159.93 53.9 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.9 mt -57.14 -52.65 64.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' GLY . 24.8 p -48.84 -39.89 27.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 25' ' ' VAL . . . -37.02 136.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -72.02 148.56 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -118.79 99.84 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -50.13 165.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -70.33 -44.05 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 p -44.49 -33.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 38.39 0.84 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -132.98 175.78 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 111.167 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.4 m -124.54 133.76 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.761 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.4 m-85 -135.88 175.75 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.418 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.7 p -93.44 172.3 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.02 -17.45 36.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -97.26 -24.11 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.466 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 41.1 m170 -118.18 24.02 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -72.3 -29.0 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -68.19 146.74 98.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.7 -42.36 3.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.74 -38.33 72.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 81.5 t -56.06 -56.66 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.761 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 24.2 p-80 -94.25 35.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.51 67.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.6 t -49.18 110.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.945 0.403 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.2 p -107.99 39.92 1.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -39.68 130.45 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -99.09 107.97 20.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 55' ' ' LYS . 3.1 p90 -75.81 159.63 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 2.9 mptt -54.84 162.01 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.6 p -86.66 127.63 34.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -160.83 114.61 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.38 90.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 t -102.75 125.41 49.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 62' ' ' SER . . . 156.97 -66.03 0.3 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.76 13.88 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.364 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' PRO . 80.0 p -30.12 111.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 p -127.14 125.14 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.449 -179.953 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -146.25 131.24 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.386 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -165.4 142.08 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.56 133.66 7.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -131.53 98.34 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -163.22 173.0 13.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.83 58.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -121.56 98.58 45.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 172.85 11.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.2 p -43.82 124.89 4.06 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.38 12.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.274 . . . . 0.0 112.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 87.04 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -65.98 -75.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 5.5 ptt180 -134.74 54.5 11.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.9 Cg_endo -69.8 140.36 42.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -84.33 91.23 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 -97.88 143.75 28.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' ARG . 23.2 t -50.7 127.05 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.3 m -75.62 8.38 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.486 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 78.9 t -118.6 -42.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 27.1 p -129.83 -5.16 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 50.24 54.45 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 11.1 ptpt -94.58 38.33 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.6 52.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -39.03 -25.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 112.87 -159.51 13.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' N ' HD21 ' A' ' 27' ' ' LEU . 4.4 mm? -78.61 -47.82 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 p -74.01 -70.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.92 -159.22 1.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.43 91.11 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -79.73 106.18 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 t -56.33 176.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -79.52 -36.74 38.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -53.17 -29.93 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.35 34.37 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.442 ' OG1' ' CE2' ' A' ' 38' ' ' PHE . 15.1 p -132.77 164.99 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.153 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 m -112.65 133.33 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CE2' ' OG1' ' A' ' 36' ' ' THR . 56.5 m-85 -136.81 175.66 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' ARG . 29.4 p -97.09 166.47 11.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.46 -23.87 10.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.6 m -89.07 -26.35 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.486 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 49.0 m170 -118.96 24.37 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 6.2 ptm180 -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.426 ' HB2' ' CG2' ' A' ' 47' ' ' VAL . 97.1 m-85 -67.96 147.23 98.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.959 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.542 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.76 -42.7 3.17 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.646 2.231 . . . . 0.0 112.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.65 -40.24 87.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 44' ' ' TYR . 74.9 t -55.86 -52.17 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 14.2 p-80 -97.64 36.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.32 73.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.44 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.0 t -66.95 117.55 9.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.6 p -76.57 82.1 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.49 148.86 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.55 98.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.45 136.33 56.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -55.48 151.61 10.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.8 p -64.18 142.1 58.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.51 152.09 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -176.72 -54.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.546 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.0 p -81.24 119.77 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.946 0.403 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.39 -164.13 28.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -47.29 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 58.79 42.15 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.0 t -49.8 -51.2 41.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.494 -179.952 . . . . . . . . 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 -0.352 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -85.64 -44.07 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 44.79 42.16 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.6 129.14 3.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -40.67 -50.86 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m 62.27 41.74 10.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.61 89.63 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -96.61 149.6 36.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' SER . 54.0 Cg_endo -69.69 139.83 41.44 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' PRO . 71.9 m -35.1 136.25 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 53.9 Cg_endo -69.74 111.31 2.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 11' ' ' PRO . 53.7 Cg_endo -69.84 85.75 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.293 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -66.13 -75.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 13.7 tpt180 -135.04 54.59 11.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.67 0.748 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.1 Cg_endo -69.75 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -81.29 98.58 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -104.82 137.59 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' ARG . 31.0 t -48.83 127.22 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -74.77 7.5 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 39.6 t -114.3 -46.32 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 p -127.78 -7.68 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.5 mmt85 54.73 54.68 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -92.46 34.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.0 ptt85 32.53 50.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.459 HG21 ' N ' ' A' ' 26' ' ' GLY . 33.2 m -43.71 -33.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.459 ' N ' HG21 ' A' ' 25' ' ' VAL . . . 47.21 -156.81 0.68 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.98 -38.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.9 p -84.04 44.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.53 170.39 20.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -113.8 148.37 36.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -118.21 96.23 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.7 t -45.79 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.9 ptt85 -73.11 -39.81 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.0 p -48.04 -34.16 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 34.77 1.01 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 p -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.6 m -113.14 134.61 54.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.646 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 57.9 m-85 -138.22 176.9 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' HIS . 28.5 p -97.51 157.05 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.48 -21.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' CYS . 26.2 t -91.92 -30.67 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.848 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' CYS . 38.6 m170 -113.24 24.68 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -72.12 -29.24 63.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -67.42 147.58 98.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.69 0.757 . . . . 0.0 110.89 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.8 -43.97 2.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -55.69 -40.56 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.79 -51.92 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.646 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 21.4 p-80 -100.24 33.96 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.01 63.95 0.29 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.457 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.1 t -39.95 144.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.9 p -121.61 99.85 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 43.5 t80 -89.9 160.63 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' N ' ' CG ' ' A' ' 52' ' ' PHE . 14.0 t70 -70.28 100.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -108.32 174.82 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -126.16 98.46 5.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -157.98 121.14 3.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.79 96.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.79 -122.21 1.97 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.5 p -88.69 112.07 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.8 126.76 10.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -177.62 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.319 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 m -112.69 124.6 52.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -63.62 162.96 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.452 -179.969 . . . . . . . . 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 -0.286 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -156.97 144.97 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.867 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -156.26 166.31 33.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.85 71.64 0.95 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 p -84.75 117.88 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -83.17 130.97 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.46 -154.79 8.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -130.52 77.84 75.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 139.17 39.44 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -66.04 122.13 79.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.693 0.759 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.94 43.81 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.64 2.227 . . . . 0.0 112.372 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 106.02 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mp0 -81.23 42.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 92.9 mtt180 54.82 53.18 9.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.3 Cg_endo -69.78 158.21 57.72 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -148.16 116.53 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -107.06 137.93 44.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 20.2 t -45.05 146.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.3 m -92.46 1.64 57.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.451 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 53.8 t -110.43 -47.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -128.5 -0.32 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 47.45 55.02 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -85.07 23.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 48.14 54.28 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' CG2' HG23 ' A' ' 37' ' ' THR . 20.8 m -50.19 -24.75 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' LEU . . . 92.6 161.41 36.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 26' ' ' GLY . 5.6 tt -34.06 -62.2 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.2 p -52.51 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.32 -157.4 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE2' ' CA ' ' A' ' 40' ' ' GLY . 65.9 m-85 -124.73 82.69 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -69.82 119.62 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -75.91 172.14 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 12.9 ptt180 -70.38 -45.52 65.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 p -44.16 -32.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.83 31.93 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 p -129.89 172.0 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.411 HG23 ' CG2' ' A' ' 25' ' ' VAL . 10.7 m -118.67 130.14 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 61.9 m-85 -131.06 176.81 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 43' ' ' ARG . 13.0 p -97.18 173.03 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' CE2' ' A' ' 30' ' ' PHE . . . -55.8 -26.91 48.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.438 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.44 -29.73 21.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.451 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 16.7 m170 -113.45 22.15 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.3 ptt180 -71.44 -32.44 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -66.15 149.71 97.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.684 0.755 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.8 -43.46 2.62 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.86 -49.67 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.8 p-80 -101.04 34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.93 72.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t -62.9 131.45 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p 41.66 40.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -91.38 141.21 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -142.01 120.57 12.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -45.05 118.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -76.47 -60.66 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -40.82 125.46 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -120.45 123.85 44.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.66 161.14 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.431 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.0 t -135.3 131.19 36.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.02 78.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.254 . . . . 0.0 112.331 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t 69.88 42.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.7 p -52.93 122.54 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.464 179.961 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -111.11 114.45 27.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.815 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 p -151.71 172.78 15.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.11 162.9 10.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -100.02 150.56 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -56.99 168.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.22 120.59 6.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 1.4 pm0 -39.23 103.5 0.28 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 8' ' ' GLN . 53.7 Cg_endo -69.82 165.42 31.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.629 2.22 . . . . 0.0 112.335 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -87.72 115.08 61.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 161.29 46.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.385 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 105.99 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.377 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -73.58 75.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.479 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 11.1 tpt180 38.3 51.86 3.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.0 Cg_endo -69.75 101.12 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.381 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -82.16 86.2 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' CYS . 38.8 mtt85 -111.25 123.5 50.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.4 t -35.35 128.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -72.3 4.01 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.413 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 79.6 t -111.88 -46.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.48 -10.17 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt85 55.36 55.02 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 10.5 ptmt -89.26 27.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.4 ptm180 43.9 33.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 26' ' ' GLY . 26.6 m -34.46 121.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -33.04 148.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' GLY . 0.4 OUTLIER -34.01 -54.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.912 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' GLY . 40.9 p -54.12 -51.74 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' THR . . . 35.62 -154.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 43' ' ' ARG . 1.4 m-85 -124.49 56.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.7 ttt -47.36 99.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.9 t -57.84 172.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.83 -41.51 64.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.46 -31.22 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 39.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -138.3 158.57 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 111.148 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.403 HG21 ' CG2' ' A' ' 25' ' ' VAL . 2.5 m -108.53 127.97 54.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -129.35 174.57 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.429 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.0 p -96.47 157.01 16.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.0 -22.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 t -89.35 -33.84 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.413 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 45.6 m170 -111.02 24.32 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 17.8 ptt180 -75.03 -26.82 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HB2' ' CG2' ' A' ' 47' ' ' VAL . 25.0 m-85 -65.11 145.69 99.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.706 0.765 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.2 Cg_endo -69.77 -31.02 21.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 47' ' ' VAL . 7.9 pm0 -70.4 -28.84 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.459 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 60.9 t -67.51 -51.58 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 6.3 p-80 -93.74 -14.09 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' PRO . . . 79.02 88.06 0.48 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 1.8 t -80.91 105.66 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.8 p -126.76 91.34 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -65.5 116.37 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -87.69 137.51 32.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -48.88 118.96 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -40.16 121.06 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.5 t -104.53 152.41 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.1 91.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.3 68.58 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.9 p -92.95 -31.19 15.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.949 0.404 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.12 -167.34 12.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -175.93 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.374 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.4 m -156.52 121.16 4.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.9 p -159.59 168.18 26.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.481 -179.957 . . . . . . . . 0 0 . 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 -0.35 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -135.9 148.25 48.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 110.908 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -164.32 144.79 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.33 79.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 m -129.42 142.42 50.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -80.24 -53.03 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.35 34.26 3.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.619 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 3.2 tt0 -66.52 -52.34 36.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.75 148.78 65.86 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.1 m -103.29 156.73 35.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.731 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 157.64 59.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 90.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.388 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -68.33 -75.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 69.2 mtt-85 -134.95 55.15 12.87 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.7 Cg_endo -69.77 154.95 67.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -103.76 129.54 51.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 mtt180 -139.3 134.22 32.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' ARG . 18.2 t -50.4 121.49 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -71.69 4.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 44.6 t -111.43 -48.29 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -123.42 -8.07 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt85 53.75 52.86 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -87.61 23.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER 38.98 48.24 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 m -39.21 -28.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 43.25 -131.04 5.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.49 -42.23 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -91.21 91.36 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.61 -165.2 16.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -148.45 118.73 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.86 99.34 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.79 169.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 11.5 ptt180 -75.12 -38.06 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.8 p -50.63 -31.49 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -133.74 174.28 10.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.089 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.5 m -122.13 137.5 54.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 70.3 m-85 -141.23 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ARG . 30.9 p -96.55 169.1 10.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.21 -22.2 13.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.1 m -88.19 -29.73 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.5 m170 -118.86 24.83 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.6 ptt180 -73.3 -32.34 64.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -63.33 148.81 92.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 -44.85 1.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.27 -40.63 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.6 t -54.48 -50.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 16.7 p-80 -101.19 35.56 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.0 67.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.465 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.4 t -49.14 158.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -136.94 106.53 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -109.29 113.22 25.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.95 126.1 11.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -98.45 136.87 37.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -67.28 176.91 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 p -117.06 115.62 25.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.02 139.68 26.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.74 150.5 29.62 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t 67.7 42.29 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.31 -177.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -119.24 176.97 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -78.72 99.91 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.48 179.947 . . . . . . . . 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 1.451 -0.333 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -106.26 93.8 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -146.41 160.95 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.18 -135.18 4.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -166.16 145.05 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.816 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -44.56 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.78 164.74 18.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -158.55 111.61 1.66 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -74.16 134.45 77.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.684 0.754 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 125.33 12.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.9 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.377 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -74.29 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 12.3 tpt180 -134.96 55.3 13.31 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.4 Cg_endo -69.77 138.28 37.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.21 98.66 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 -119.5 133.44 55.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 35.0 t -57.27 124.77 20.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -73.55 8.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.471 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 66.8 t -118.81 -45.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -127.11 -5.26 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 49.35 54.88 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -92.04 32.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 43.17 37.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 37' ' ' THR . 34.4 m -38.07 121.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.05 -91.18 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -41.57 -43.86 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -118.9 50.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.38 106.67 3.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -86.26 149.21 25.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -118.73 103.5 9.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -53.22 168.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -73.5 -41.1 63.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -45.84 -36.97 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.68 39.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -136.58 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.18 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.466 HG21 ' CG2' ' A' ' 25' ' ' VAL . 7.5 m -119.15 135.71 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.9 m-85 -137.32 174.59 10.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.447 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 24.6 p -90.79 175.74 6.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.88 -20.46 62.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -94.1 -25.62 17.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.471 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 51.4 m170 -116.33 23.55 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -72.34 -32.19 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -66.92 150.05 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.567 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -42.96 2.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.33 -37.74 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.04 -52.14 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 25.5 p-80 -100.16 38.13 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.01 62.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.4 t -39.95 135.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.3 p -80.61 41.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -95.0 127.22 40.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -147.38 139.11 24.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -90.08 165.86 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -44.96 101.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -167.07 174.56 8.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.38 87.8 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.061 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.14 -133.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 m -96.85 115.51 27.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.01 -64.27 2.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.417 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 130.33 19.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -155.61 153.41 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.9 m -94.87 173.39 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.498 179.973 . . . . . . . . 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 ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 27.5 t -54.25 126.31 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' HG22 ' A' ' 19' ' ' THR . 5.3 m -74.71 6.64 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 46.0 t -114.96 -44.67 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.38 -3.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 11.1 mmt180 49.32 55.01 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -85.28 15.46 4.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 3.1 mpt_? 58.99 37.83 24.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.806 HG21 HG22 ' A' ' 37' ' ' THR . 31.3 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttt -88.52 98.61 11.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 t -48.49 165.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -70.44 -43.31 70.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 p -46.21 -34.0 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.88 39.08 0.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -136.31 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.164 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.806 HG22 HG21 ' A' ' 25' ' ' VAL . 8.2 m -118.9 132.97 56.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.418 ' CD1' HG23 ' A' ' 20' ' ' VAL . 71.7 m-85 -134.94 175.17 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 27.6 p -95.62 157.28 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.31 -21.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -90.46 -30.85 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.442 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.5 m170 -114.97 26.61 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.53 -27.08 61.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.572 ' HB2' HG23 ' A' ' 47' ' ' VAL . 88.1 m-85 -67.12 147.42 99.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.676 0.751 . . . . 0.0 110.93 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.47 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.7 Cg_endo -69.8 -43.01 2.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.42 -38.8 78.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 44' ' ' TYR . 85.8 t -56.16 -48.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' GLY . 32.9 p80 -103.13 31.38 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 35.38 70.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -54.51 128.04 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' HG22 ' A' ' 19' ' ' THR . 18.8 m -76.4 9.39 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 38' ' ' PHE . 72.3 t -119.3 -44.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -125.95 -8.01 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.414 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 52.38 54.94 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HG3' HG13 ' A' ' 25' ' ' VAL . 3.1 ptmt -92.99 37.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.5 mmt85 34.91 43.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.627 HG21 HG22 ' A' ' 37' ' ' THR . 21.6 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -82.52 100.06 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -52.18 172.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -73.79 -45.99 48.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -42.25 -35.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.07 32.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 p -130.16 175.21 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.627 HG22 HG21 ' A' ' 25' ' ' VAL . 17.4 m -124.34 137.73 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.641 ' CD1' HG23 ' A' ' 20' ' ' VAL . 73.4 m-85 -138.48 173.78 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.5 p -89.58 175.44 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.5 -18.75 56.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 t -95.4 -26.32 15.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.53 ' HA ' HG11 ' A' ' 47' ' ' VAL . 36.9 m170 -115.86 24.24 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -72.51 -31.55 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.401 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.7 m-85 -64.87 149.95 95.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.593 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 -43.27 2.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -40.75 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.53 HG11 ' HA ' ' A' ' 42' ' ' HIS . 72.2 t -54.64 -50.82 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.607 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 p-80 -101.52 35.49 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.62 67.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 19.6 t -52.08 124.59 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.495 ' O ' HG22 ' A' ' 19' ' ' THR . 8.2 m -73.62 5.79 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.601 HG23 ' CD1' ' A' ' 38' ' ' PHE . 72.5 t -114.96 -43.19 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -128.33 -6.25 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 35.9 mmm-85 50.69 54.79 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.67 38.07 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.0 mpt_? 33.86 40.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG21 HG22 ' A' ' 37' ' ' THR . 25.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -93.26 99.34 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -50.83 171.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -73.42 -44.56 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 p -42.91 -33.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 30.74 1.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 p -130.22 177.89 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 25' ' ' VAL . 19.7 m -127.83 139.74 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 66.1 m-85 -138.12 178.0 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.7 p -94.4 175.03 6.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.35 -18.45 50.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -97.14 -25.19 15.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' PHE . 41.4 m170 -115.9 23.73 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -73.46 -27.38 61.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.612 ' HB2' HG23 ' A' ' 47' ' ' VAL . 89.4 m-85 -66.31 147.08 99.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.681 0.753 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.59 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.77 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.76 -40.06 82.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 44' ' ' TYR . 84.7 t -55.21 -52.06 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.75 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 14.5 p-80 -98.35 32.15 2.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.45 69.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.5 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 13.6 t -49.48 129.33 18.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 19' ' ' THR . 22.8 m -75.5 7.05 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 ' CE1' ' A' ' 38' ' ' PHE . 53.7 t -115.71 -49.82 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.99 -3.41 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.412 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 6.3 mmm180 49.01 55.03 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.997 ' HE3' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.7 23.56 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HD3' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 50.85 54.77 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.997 HG12 ' HE3' ' A' ' 23' ' ' LYS . 28.2 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -117.57 103.89 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 t -54.52 168.47 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -72.21 -43.82 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 p -45.68 -34.26 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.96 38.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 p -133.34 164.18 27.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.17 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.732 HG22 HG21 ' A' ' 25' ' ' VAL . 3.0 m -115.02 129.06 56.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CE1' HG23 ' A' ' 20' ' ' VAL . 84.7 m-85 -129.68 -178.4 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' ARG . 31.0 p -106.82 164.94 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.29 -20.12 3.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -91.21 -25.07 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.545 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 31.9 m170 -125.76 26.0 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' CYS . 18.9 ptt180 -72.61 -27.33 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.528 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.7 m-85 -69.94 148.03 96.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.471 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 54.0 Cg_endo -69.77 -43.88 2.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.65 -36.88 70.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.528 HG23 ' HB2' ' A' ' 44' ' ' TYR . 96.1 t -58.07 -52.64 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.503 ' CD2' ' CE2' ' A' ' 38' ' ' PHE . 32.4 p80 -99.04 32.83 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.47 65.0 0.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.3 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 24' ' ' ARG . 67.3 mtt-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.4 t -43.77 126.92 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 19' ' ' THR . 34.7 m -74.15 5.64 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.623 HG23 ' CD1' ' A' ' 38' ' ' PHE . 75.2 t -115.02 -45.69 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -125.65 -7.27 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.5 mmt180 49.6 54.98 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HD2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -89.63 25.27 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 23' ' ' LYS . 12.8 ptt180 44.28 47.93 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.886 HG12 ' HD2' ' A' ' 23' ' ' LYS . 32.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.855 0.36 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.57 96.2 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 t -45.79 170.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -74.48 -42.4 59.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.0 p -45.64 -31.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 35.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 p -134.49 166.8 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -114.69 133.28 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD1' HG23 ' A' ' 20' ' ' VAL . 65.2 m-85 -136.37 177.77 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' ARG . 25.5 p -102.0 163.97 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.53 -24.34 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -88.52 -23.2 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.467 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.8 m170 -124.33 23.83 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 ptm180 -73.01 -31.86 64.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.426 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -62.73 147.92 92.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.969 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.589 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.12 -37.98 75.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 42' ' ' HIS . 74.4 t -59.24 -54.53 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.0 p-80 -94.72 33.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.62 74.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.918 0.39 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.1 t -42.1 156.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.588 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 31.6 m -100.37 1.07 41.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.536 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 39.6 t -114.6 -44.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.79 4.72 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.482 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 40.02 54.69 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.4 ptpt -89.84 44.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.534 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.7 ttt180 27.36 52.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 25' ' ' VAL . 34.5 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttt -91.84 98.36 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.84 169.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -73.33 -43.4 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.08 -32.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.73 35.72 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 p -133.84 161.37 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.572 HG22 HG21 ' A' ' 25' ' ' VAL . 4.6 m -112.99 125.35 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.588 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 93.0 m-85 -121.55 173.88 7.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -92.24 175.58 6.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.53 -19.46 53.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 28.1 m170 -112.84 20.05 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.75 -33.41 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.572 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.8 m-85 -65.86 147.09 98.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.727 0.775 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.484 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -55.41 -39.39 70.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 44' ' ' TYR . 84.3 t -54.29 -52.88 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 34.8 p80 -99.76 37.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.09 65.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.0 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 34.5 mtm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.917 0.389 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 11.9 t -41.1 156.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.5 m -101.27 0.24 36.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' HB ' ' ND1' ' A' ' 42' ' ' HIS . 70.5 t -112.58 -43.42 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 31.2 p -130.91 4.8 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 41.8 54.81 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.9 ptmt -86.94 38.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.8 mtp85 33.34 45.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.686 HG21 HG22 ' A' ' 37' ' ' THR . 19.8 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.1 ttt -86.08 104.91 16.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -56.18 177.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 25.0 ptt180 -78.82 -45.0 21.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.6 p -42.59 -35.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.72 35.04 0.87 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 p -133.8 165.52 24.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.686 HG22 HG21 ' A' ' 25' ' ' VAL . 6.9 m -111.3 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 66.9 m-85 -128.33 174.37 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 20.9 p -96.49 156.81 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.08 -22.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.4 t -88.96 -36.02 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.418 ' ND1' ' HB ' ' A' ' 20' ' ' VAL . 25.7 m170 -108.73 25.49 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -74.37 -30.08 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.487 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 99.6 m-85 -68.01 148.84 98.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.778 . . . . 0.0 110.876 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.491 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.5 Cg_endo -69.8 -44.21 2.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -53.42 -41.49 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.1 -56.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 44' ' ' TYR . 33.9 p80 -95.16 30.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.05 73.57 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.448 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.491 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.391 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 21.1 t -41.9 149.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.595 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 27.7 m -94.52 1.97 55.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.11 -47.43 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.03 -2.1 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.494 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 48.74 53.82 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -86.41 39.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 30.6 51.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.557 HG21 HG22 ' A' ' 37' ' ' THR . 35.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.8 ttt -118.14 101.36 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.7 172.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 24.7 ptt180 -78.39 -36.42 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.3 p -51.91 -30.89 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 38.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 p -135.72 165.83 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.557 HG22 HG21 ' A' ' 25' ' ' VAL . 13.3 m -113.92 129.55 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 84.7 m-85 -130.17 174.0 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 42' ' ' HIS . 21.7 p -96.34 153.99 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.1 -24.68 0.1 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' CYS . 15.7 t -86.91 -35.63 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.565 ' HA ' HG11 ' A' ' 47' ' ' VAL . 18.9 m170 -109.48 23.37 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.67 -33.25 72.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.457 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -64.51 150.07 94.17 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.687 0.756 . . . . 0.0 110.872 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.477 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 54.1 Cg_endo -69.77 -45.99 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -54.72 -41.61 70.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 42' ' ' HIS . 79.2 t -53.04 -44.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.466 ' O ' ' C ' ' A' ' 49' ' ' GLY . 32.8 p80 -110.14 36.45 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.32 65.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.477 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 12.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 14.0 t -39.85 157.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.582 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.9 m -101.79 1.43 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 53.5 t -114.3 -44.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -129.11 5.22 5.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.478 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.6 ptpt -87.62 41.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.1 ttm-85 27.57 49.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.474 HG21 HG22 ' A' ' 37' ' ' THR . 5.3 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.3 ttt -78.87 99.44 6.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HG ' ' CE1' ' A' ' 48' ' ' HIS . 2.5 t -51.14 178.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -78.83 -42.93 26.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.72 -31.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 40.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.33 166.1 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.163 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.474 HG22 HG21 ' A' ' 25' ' ' VAL . 9.8 m -111.66 130.24 55.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 87.6 m-85 -129.39 175.69 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.7 p -97.55 170.64 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.49 -20.83 32.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.3 t -93.56 -25.89 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.466 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 27.1 m170 -117.36 21.21 13.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.7 ptt180 -72.44 -31.67 65.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.8 m-85 -62.85 144.8 96.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.671 0.748 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.482 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.6 Cg_endo -69.77 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -37.33 83.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 44' ' ' TYR . 93.9 t -60.9 -57.92 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 10.7 p-80 -90.5 31.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 36.33 78.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.4 t -56.63 125.39 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 19' ' ' THR . 10.1 m -74.98 6.8 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.452 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 55.7 t -116.98 -43.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -129.65 -2.98 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 15.3 mmt180 45.79 51.82 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HD2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.03 18.1 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.6 mpt_? 55.92 44.61 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.76 HG21 HG22 ' A' ' 37' ' ' THR . 27.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.0 ttt -90.2 99.31 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 t -47.72 169.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 4.8 ptp180 -76.19 -36.13 58.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.5 p -52.39 -32.8 40.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.25 40.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 p -137.94 166.47 23.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 0.0 111.187 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.76 HG22 HG21 ' A' ' 25' ' ' VAL . 13.7 m -117.17 132.15 56.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.468 ' C ' HG11 ' A' ' 25' ' ' VAL . 64.5 m-85 -133.06 169.82 16.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.85 173.82 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.55 -15.75 33.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 t -95.96 -25.86 15.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.452 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.0 m170 -119.4 23.74 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -71.75 -29.01 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.611 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.0 m-85 -68.24 146.27 97.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.442 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 54.1 Cg_endo -69.7 -43.11 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 9.5 pt-20 -57.21 -37.21 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG23 ' HB2' ' A' ' 44' ' ' TYR . 87.3 t -56.86 -54.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' GLY . 34.2 p80 -97.2 36.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.14 66.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.442 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.853 0.359 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 16.4 t -42.8 159.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 19' ' ' THR . 45.9 m -103.39 1.94 33.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.47 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 41.4 t -115.43 -44.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 30.3 p -128.68 2.96 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 42.74 54.95 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.6 ptmt -87.27 40.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LYS . 12.5 mtt180 34.42 44.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 25' ' ' VAL . 15.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.923 0.392 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 ttt -89.57 98.5 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 t -50.49 173.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 3.4 ptp180 -76.7 -40.11 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 p -48.98 -32.84 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.86 34.4 1.06 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -131.72 165.78 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.11 125.87 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.609 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 79.2 m-85 -122.48 177.87 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 9.1 p -94.17 177.73 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.44 -20.8 61.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -95.4 -27.71 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.47 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 33.4 m170 -112.07 22.27 14.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -70.26 -31.13 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' HB2' HG23 ' A' ' 47' ' ' VAL . 60.6 m-85 -67.38 147.69 98.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.896 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.479 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.6 Cg_endo -69.77 -42.46 3.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.641 2.227 . . . . 0.0 112.375 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 8.1 pt-20 -56.45 -36.67 69.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 44' ' ' TYR . 90.2 t -58.46 -52.74 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.609 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 33.7 p80 -99.21 33.67 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.33 64.27 0.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.1 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -49.87 129.3 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.557 ' O ' HG22 ' A' ' 19' ' ' THR . 14.9 m -76.8 9.36 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 38' ' ' PHE . 43.0 t -116.69 -49.39 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -123.2 -8.98 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 55.7 55.01 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -91.01 37.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.9 mpt_? 36.44 43.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 25' ' ' VAL . 32.9 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.4 ttt -115.56 97.35 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.37 161.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.33 -43.99 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.99 -32.06 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.87 39.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -136.12 167.77 20.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.578 HG22 HG21 ' A' ' 25' ' ' VAL . 11.8 m -116.15 133.14 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD1' HG23 ' A' ' 20' ' ' VAL . 75.5 m-85 -135.42 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' HIS . 22.7 p -94.22 154.2 17.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.19 -22.49 0.12 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' CYS . 45.5 t -89.36 -34.71 16.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.1 m170 -109.48 24.82 12.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -71.76 -31.02 66.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.498 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.6 m-85 -65.53 147.65 98.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.702 0.763 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.475 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.3 Cg_endo -69.81 -44.21 2.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.49 -40.02 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 44' ' ' TYR . 90.9 t -54.24 -52.96 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLY . 33.2 p80 -99.57 34.74 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.74 63.93 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.83 0.348 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.1 t -51.46 127.4 19.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 19' ' ' THR . 3.5 m -75.54 8.55 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' CE1' ' A' ' 38' ' ' PHE . 43.0 t -116.79 -45.38 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -126.4 -8.14 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 53.53 55.04 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -95.44 39.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.45 54.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.607 HG21 HG22 ' A' ' 37' ' ' THR . 19.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -91.25 96.98 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -47.0 167.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.45 -40.11 67.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -48.16 -32.16 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.01 36.36 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -134.1 168.41 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.607 HG22 HG21 ' A' ' 25' ' ' VAL . 9.1 m -116.55 136.14 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.522 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 76.0 m-85 -136.19 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.5 p -93.37 156.92 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.73 -20.95 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -91.93 -30.36 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.4 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CD2' HG11 ' A' ' 47' ' ' VAL . 38.7 m170 -112.8 23.13 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -70.98 -26.07 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.627 ' HB2' HG23 ' A' ' 47' ' ' VAL . 95.4 m-85 -68.68 147.94 98.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.48 4.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.72 -37.18 78.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.627 HG23 ' HB2' ' A' ' 44' ' ' TYR . 63.9 t -57.55 -49.28 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.522 ' CD2' ' CE2' ' A' ' 38' ' ' PHE . 32.7 p80 -102.43 31.35 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.41 67.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.539 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.868 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.8 t -53.73 126.58 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -75.64 8.75 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG23 ' CE1' ' A' ' 38' ' ' PHE . 52.6 t -116.86 -45.81 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -126.62 -7.43 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 53.51 55.01 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 7.8 ptmt -94.02 33.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.8 ptt180 33.43 45.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.521 HG21 HG22 ' A' ' 37' ' ' THR . 31.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -118.79 99.84 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -50.13 165.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -70.33 -44.05 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 p -44.49 -33.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 38.39 0.84 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -132.98 175.78 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 111.167 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.521 HG22 HG21 ' A' ' 25' ' ' VAL . 20.4 m -124.54 133.76 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 71.4 m-85 -135.88 175.75 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.431 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.7 p -93.44 172.3 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.02 -17.45 36.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -97.26 -24.11 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.466 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 41.1 m170 -118.18 24.02 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -72.3 -29.0 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.461 ' HB2' HG23 ' A' ' 47' ' ' VAL . 83.4 m-85 -68.19 146.74 98.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 54.0 Cg_endo -69.7 -42.36 3.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 13.2 pt-20 -56.74 -38.33 72.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 44' ' ' TYR . 81.5 t -56.06 -56.66 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.592 ' CD2' ' CE2' ' A' ' 38' ' ' PHE . 34.2 p80 -94.25 35.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.51 67.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.6 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.945 0.403 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 23.2 t -50.7 127.05 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 19' ' ' THR . 19.3 m -75.62 8.38 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG23 ' CD1' ' A' ' 38' ' ' PHE . 78.9 t -118.6 -42.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 27.1 p -129.83 -5.16 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 50.24 54.45 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 11.1 ptpt -94.58 38.33 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.6 52.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.422 HG21 HG22 ' A' ' 37' ' ' THR . 27.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.791 0.329 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -79.73 106.18 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HG ' ' CE1' ' A' ' 48' ' ' HIS . 3.3 t -56.33 176.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -79.52 -36.74 38.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -53.17 -29.93 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.35 34.37 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 p -132.77 164.99 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.422 HG22 HG21 ' A' ' 25' ' ' VAL . 16.0 m -112.65 133.33 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.533 ' CD1' HG23 ' A' ' 20' ' ' VAL . 56.5 m-85 -136.81 175.66 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' ARG . 29.4 p -97.09 166.47 11.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.46 -23.87 10.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.6 m -89.07 -26.35 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.486 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 49.0 m170 -118.96 24.37 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 6.2 ptm180 -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.6 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.1 m-85 -67.96 147.23 98.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.959 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.76 -42.7 3.17 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.646 2.231 . . . . 0.0 112.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.65 -40.24 87.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 44' ' ' TYR . 74.9 t -55.86 -52.17 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 14.2 p-80 -97.64 36.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.32 73.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 22' ' ' ARG . 31.0 t -48.83 127.22 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 19' ' ' THR . 4.3 m -74.77 7.5 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 39.6 t -114.3 -46.32 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 p -127.78 -7.68 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.5 mmt85 54.73 54.68 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -92.46 34.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.0 ptt85 32.53 50.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.438 HG21 HG22 ' A' ' 37' ' ' THR . 33.2 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -118.21 96.23 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.7 t -45.79 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 41.9 ptt85 -73.11 -39.81 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 6.0 p -48.04 -34.16 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 34.77 1.01 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 p -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.438 HG22 HG21 ' A' ' 25' ' ' VAL . 17.6 m -113.14 134.61 54.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.446 ' CE2' ' NE2' ' A' ' 48' ' ' HIS . 57.9 m-85 -138.22 176.9 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' HIS . 28.5 p -97.51 157.05 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.48 -21.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' CYS . 26.2 t -91.92 -30.67 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.848 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' CYS . 38.6 m170 -113.24 24.68 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -72.12 -29.24 63.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -67.42 147.58 98.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.69 0.757 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.466 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.4 Cg_endo -69.8 -43.97 2.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -55.69 -40.56 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.496 HG23 ' HB2' ' A' ' 44' ' ' TYR . 94.9 t -53.79 -51.92 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' GLY . 34.5 p80 -100.24 33.96 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.01 63.95 0.29 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 27.8 mtm180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.928 0.394 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 20.2 t -45.05 146.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.3 m -92.46 1.64 57.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.516 HG23 ' HD1' ' A' ' 38' ' ' PHE . 53.8 t -110.43 -47.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -128.5 -0.32 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.503 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 47.45 55.02 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.54 ' HE2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.07 23.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 2.5 mpt_? 48.14 54.28 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.542 HG21 HG22 ' A' ' 37' ' ' THR . 20.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE2' ' CA ' ' A' ' 40' ' ' GLY . 65.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -69.82 119.62 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -75.91 172.14 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 12.9 ptt180 -70.38 -45.52 65.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 p -44.16 -32.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.83 31.93 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 p -129.89 172.0 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.542 HG22 HG21 ' A' ' 25' ' ' VAL . 10.7 m -118.67 130.14 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 61.9 m-85 -131.06 176.81 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 43' ' ' ARG . 13.0 p -97.18 173.03 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' CE2' ' A' ' 30' ' ' PHE . . . -55.8 -26.91 48.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.438 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.44 -29.73 21.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.578 ' HA ' HG11 ' A' ' 47' ' ' VAL . 16.7 m170 -113.45 22.15 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.3 ptt180 -71.44 -32.44 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.9 m-85 -66.15 149.71 97.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.684 0.755 . . . . 0.0 110.933 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.588 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.8 -43.46 2.62 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 11.4 pt-20 -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 42' ' ' HIS . 73.7 t -56.86 -49.67 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.8 p-80 -101.04 34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.93 72.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' CYS . 38.8 mtt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.4 t -35.35 128.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 19' ' ' THR . 5.2 m -72.3 4.01 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.413 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 79.6 t -111.88 -46.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.48 -10.17 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt85 55.36 55.02 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 10.5 ptmt -89.26 27.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.4 ptm180 43.9 33.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 HG22 ' A' ' 37' ' ' THR . 26.6 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 43' ' ' ARG . 1.4 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.7 ttt -47.36 99.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.9 t -57.84 172.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.83 -41.51 64.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.46 -31.22 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 39.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -138.3 158.57 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 111.148 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.57 HG22 HG21 ' A' ' 25' ' ' VAL . 2.5 m -108.53 127.97 54.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 76.7 m-85 -129.35 174.57 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.0 p -96.47 157.01 16.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.0 -22.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 t -89.35 -33.84 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.413 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 45.6 m170 -111.02 24.32 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.583 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 17.8 ptt180 -75.03 -26.82 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.77 ' HB2' HG23 ' A' ' 47' ' ' VAL . 25.0 m-85 -65.11 145.69 99.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.706 0.765 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.2 Cg_endo -69.77 -31.02 21.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 47' ' ' VAL . 7.9 pm0 -70.4 -28.84 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.77 HG23 ' HB2' ' A' ' 44' ' ' TYR . 60.9 t -67.51 -51.58 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.573 ' CD2' ' CE2' ' A' ' 38' ' ' PHE . 16.9 p80 -93.74 -14.09 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' PRO . . . 79.02 88.06 0.48 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 1.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 mtt180 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' ARG . 18.2 t -50.4 121.49 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -71.69 4.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 44.6 t -111.43 -48.29 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -123.42 -8.07 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt85 53.75 52.86 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -87.61 23.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 0.9 OUTLIER 38.98 48.24 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG21 HG22 ' A' ' 37' ' ' THR . 28.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.86 99.34 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.79 169.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 11.5 ptt180 -75.12 -38.06 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.8 p -50.63 -31.49 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -133.74 174.28 10.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.089 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.462 HG22 HG21 ' A' ' 25' ' ' VAL . 25.5 m -122.13 137.5 54.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.403 ' CE1' HG23 ' A' ' 20' ' ' VAL . 70.3 m-85 -141.23 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ARG . 30.9 p -96.55 169.1 10.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.21 -22.2 13.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.1 m -88.19 -29.73 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.5 m170 -118.86 24.83 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.6 ptt180 -73.3 -32.34 64.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.9 m-85 -63.33 148.81 92.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.595 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 -44.85 1.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.27 -40.63 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.546 HG23 ' HB2' ' A' ' 44' ' ' TYR . 97.6 t -54.48 -50.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 16.7 p-80 -101.19 35.56 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.0 67.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.531 ' HB2' HG13 ' A' ' 25' ' ' VAL . 35.0 t -57.27 124.77 20.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -73.55 8.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.554 HG23 ' CD1' ' A' ' 38' ' ' PHE . 66.8 t -118.81 -45.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -127.11 -5.26 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 49.35 54.88 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -92.04 32.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 43.17 37.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 37' ' ' THR . 34.4 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -118.73 103.5 9.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -53.22 168.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -73.5 -41.1 63.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -45.84 -36.97 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.68 39.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -136.58 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.18 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.584 HG22 HG21 ' A' ' 25' ' ' VAL . 7.5 m -119.15 135.71 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CD1' HG23 ' A' ' 20' ' ' VAL . 71.9 m-85 -137.32 174.59 10.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.456 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 24.6 p -90.79 175.74 6.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.88 -20.46 62.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -94.1 -25.62 17.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.573 ' HA ' HG11 ' A' ' 47' ' ' VAL . 51.4 m170 -116.33 23.55 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -72.34 -32.19 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.538 ' HB2' HG23 ' A' ' 47' ' ' VAL . 28.4 m-85 -66.92 150.05 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.468 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.9 Cg_endo -69.77 -42.96 2.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.33 -37.74 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.573 HG11 ' HA ' ' A' ' 42' ' ' HIS . 86.5 t -56.04 -52.14 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.471 ' O ' ' C ' ' A' ' 49' ' ' GLY . 35.2 p80 -100.16 38.13 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.01 62.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -76.84 104.04 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -135.53 172.86 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.45 -46.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -172.69 136.25 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -110.89 109.09 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.31 -131.83 4.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -159.74 137.3 7.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 79.87 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 0.0 112.402 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 m -125.28 75.68 68.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.28 64.53 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.635 2.223 . . . . 0.0 112.389 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 82.7 0.73 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.745 2.296 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -62.12 -74.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 11.7 tpt180 -134.65 54.99 12.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.6 Cg_endo -69.82 125.12 11.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -134.24 133.01 40.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -130.55 132.21 45.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 27.5 t -54.25 126.31 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' HG22 ' A' ' 19' ' ' THR . 5.3 m -74.71 6.64 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 46.0 t -114.96 -44.67 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.38 -3.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 11.1 mmt180 49.32 55.01 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -85.28 15.46 4.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 3.1 mpt_? 58.99 37.83 24.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.806 HG21 HG22 ' A' ' 37' ' ' THR . 31.3 m -39.61 154.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.28 -70.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mp -42.3 -49.18 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 28' ' ' THR . 6.4 t -134.45 35.17 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.15 157.58 46.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -129.56 117.38 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttt -88.52 98.61 11.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 t -48.49 165.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -70.44 -43.31 70.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 p -46.21 -34.0 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.88 39.08 0.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -136.31 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.164 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.806 HG22 HG21 ' A' ' 25' ' ' VAL . 8.2 m -118.9 132.97 56.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.514 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.7 m-85 -134.94 175.17 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 27.6 p -95.62 157.28 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.31 -21.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -90.46 -30.85 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.442 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.5 m170 -114.97 26.61 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.53 -27.08 61.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.572 ' HB2' HG23 ' A' ' 47' ' ' VAL . 88.1 m-85 -67.12 147.42 99.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.676 0.751 . . . . 0.0 110.93 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.585 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.8 -43.01 2.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.42 -38.8 78.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 44' ' ' TYR . 85.8 t -56.16 -48.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 18.7 p-80 -103.13 31.38 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 35.38 70.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t -49.72 118.92 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 52' ' ' PHE . 24.0 p -111.66 41.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' THR . 27.3 t80 -35.39 110.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -88.06 107.01 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -104.93 166.38 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 pttm 38.62 37.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -117.54 42.24 2.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.27 123.7 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.142 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -123.58 54.14 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.5 p -153.53 164.75 37.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.19 156.24 1.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.88 26.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.633 2.222 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 m -68.73 173.8 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.8 t -173.73 169.17 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.477 -179.98 . . . . . . . . 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 -0.349 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 p -98.97 152.89 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -39.99 -37.65 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.23 -173.16 15.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -41.4 120.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.2 p -140.93 153.75 45.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.62 99.45 1.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 27.9 mt-30 -123.58 99.13 39.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.938 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 8' ' ' GLN . 53.2 Cg_endo -69.73 163.29 38.81 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 80.4 p 44.35 52.08 9.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 10' ' ' SER . 53.5 Cg_endo -69.81 141.52 45.24 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 85.62 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -63.85 -75.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 47.9 ttm-85 -134.98 55.8 14.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.1 Cg_endo -69.77 114.6 3.76 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.88 119.78 23.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -115.29 133.63 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -54.51 128.04 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' HG22 ' A' ' 19' ' ' THR . 18.8 m -76.4 9.39 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 38' ' ' PHE . 72.3 t -119.3 -44.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -125.95 -8.01 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.414 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 52.38 54.94 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HG3' HG13 ' A' ' 25' ' ' VAL . 3.1 ptmt -92.99 37.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.5 mmt85 34.91 43.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.627 HG21 HG22 ' A' ' 37' ' ' THR . 21.6 m -44.41 115.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.83 -56.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.45 -40.54 42.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.913 0.387 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.2 p -113.63 46.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.61 117.44 4.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -107.8 108.39 19.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -82.52 100.06 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -52.18 172.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -73.79 -45.99 48.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -42.25 -35.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.07 32.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 p -130.16 175.21 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.627 HG22 HG21 ' A' ' 25' ' ' VAL . 17.4 m -124.34 137.73 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.641 ' CD1' HG23 ' A' ' 20' ' ' VAL . 73.4 m-85 -138.48 173.78 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.5 p -89.58 175.44 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.5 -18.75 56.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 t -95.4 -26.32 15.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.53 ' HA ' HG11 ' A' ' 47' ' ' VAL . 36.9 m170 -115.86 24.24 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -72.51 -31.55 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.401 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.7 m-85 -64.87 149.95 95.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.593 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 -43.27 2.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -40.75 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.53 HG11 ' HA ' ' A' ' 42' ' ' HIS . 72.2 t -54.64 -50.82 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.607 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 p-80 -101.52 35.49 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.62 67.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.4 t -53.69 149.82 7.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 t -135.23 106.86 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -77.52 147.59 35.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -79.25 80.96 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -39.96 111.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.31 88.04 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 m -75.32 160.35 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.68 93.46 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.12 -116.6 1.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 t -123.52 132.19 53.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.91 135.39 12.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.449 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 139.46 40.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.74 2.293 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.7 t -87.26 91.75 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 m -63.95 -44.84 91.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.479 -179.984 . . . . . . . . 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 -0.317 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -119.16 95.41 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -93.02 162.31 14.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.77 136.51 12.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -68.33 120.75 14.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -121.01 86.64 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.45 112.92 0.54 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.428 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -107.83 77.94 0.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 125.93 12.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 0.0 112.39 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.3 t -113.82 106.81 53.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.701 0.762 . . . . 0.0 110.803 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.51 48.16 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.388 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 81.58 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.13 -75.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -135.01 56.79 17.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 99.73 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -83.51 137.47 33.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -131.42 128.18 38.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 19.6 t -52.08 124.59 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.495 ' O ' HG22 ' A' ' 19' ' ' THR . 8.2 m -73.62 5.79 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.601 HG23 ' CD1' ' A' ' 38' ' ' PHE . 72.5 t -114.96 -43.19 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -128.33 -6.25 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 35.9 mmm-85 50.69 54.79 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.67 38.07 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' GLY . 5.0 mpt_? 33.86 40.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG21 HG22 ' A' ' 37' ' ' THR . 25.6 m -35.45 -33.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 52.44 -158.39 3.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -47.57 -38.39 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -79.08 45.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.95 -178.66 15.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -125.06 120.2 30.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -93.26 99.34 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -50.83 171.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -73.42 -44.56 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 p -42.91 -33.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 30.74 1.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 p -130.22 177.89 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 25' ' ' VAL . 19.7 m -127.83 139.74 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 66.1 m-85 -138.12 178.0 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.7 p -94.4 175.03 6.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.35 -18.45 50.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -97.14 -25.19 15.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' PHE . 41.4 m170 -115.9 23.73 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -73.46 -27.38 61.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.612 ' HB2' HG23 ' A' ' 47' ' ' VAL . 89.4 m-85 -66.31 147.08 99.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.681 0.753 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.59 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.77 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.76 -40.06 82.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 44' ' ' TYR . 84.7 t -55.21 -52.06 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.75 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 14.5 p-80 -98.35 32.15 2.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.45 69.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.5 t -47.71 144.37 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -94.52 -42.79 8.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 52' ' ' PHE . 4.4 t80 -73.32 114.89 12.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -131.87 43.79 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -117.76 78.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 99.85 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.0 p -54.72 -32.71 60.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.14 112.61 5.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' SER . . . -122.11 -166.21 12.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' GLY . 78.1 p -36.49 142.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.95 0.405 . . . . 0.0 110.816 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.7 87.55 0.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 100.53 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.6 t -132.2 98.77 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.1 p -86.21 135.03 33.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.504 -179.982 . . . . . . . . 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 1.45 -0.373 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -79.92 -58.25 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.1 p -111.41 162.97 14.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.45 139.62 5.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -160.39 111.62 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 110.808 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -118.54 151.09 38.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . 64.89 83.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 45.4 mt-30 -36.87 137.41 0.56 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 104.15 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -165.46 133.48 2.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.59 13.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 106.71 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -90.38 39.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 13.4 mmt-85 61.45 54.97 3.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.715 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.5 Cg_endo -69.82 94.98 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -63.78 128.22 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -141.88 133.45 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 13.6 t -49.48 129.33 18.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 19' ' ' THR . 22.8 m -75.5 7.05 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 ' CE1' ' A' ' 38' ' ' PHE . 53.7 t -115.71 -49.82 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.99 -3.41 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 6.3 mmm180 49.01 55.03 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.997 ' HE3' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.7 23.56 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HD3' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 50.85 54.77 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.997 HG12 ' HE3' ' A' ' 23' ' ' LYS . 28.2 m -56.65 120.47 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -93.54 -150.09 26.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 tp -40.05 -55.55 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' GLY . 36.4 p -53.48 -33.91 56.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' GLY . . . -36.06 141.4 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -102.82 148.19 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -117.57 103.89 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 t -54.52 168.47 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -72.21 -43.82 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 p -45.68 -34.26 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.96 38.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 p -133.34 164.18 27.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.17 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.732 HG22 HG21 ' A' ' 25' ' ' VAL . 3.0 m -115.02 129.06 56.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 84.7 m-85 -129.68 -178.4 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' ARG . 31.0 p -106.82 164.94 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.29 -20.12 3.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -91.21 -25.07 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.545 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 31.9 m170 -125.76 26.0 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' CYS . 18.9 ptt180 -72.61 -27.33 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.528 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.7 m-85 -69.94 148.03 96.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.77 -43.88 2.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.65 -36.88 70.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.528 HG23 ' HB2' ' A' ' 44' ' ' TYR . 96.1 t -58.07 -52.64 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.634 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 22.8 p-80 -99.04 32.83 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.47 65.0 0.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.3 t -41.23 159.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' CYS . 46.2 p -34.55 -49.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -44.87 114.84 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.82 127.43 34.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 18.0 p90 -123.07 75.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -93.16 119.24 32.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.3 p -79.0 107.04 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.04 127.03 29.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.68 -130.52 1.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.8 p -110.08 106.39 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.79 171.88 55.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.42 8.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -92.75 85.16 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -92.21 174.8 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.475 -179.979 . . . . . . . . 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 1.45 -0.371 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -154.57 156.63 36.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.355 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -71.04 -46.23 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.54 156.52 24.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -60.52 128.2 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 m -99.38 132.81 44.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.52 120.56 3.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -119.91 131.07 24.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.85 8.54 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.6 p -64.79 143.42 98.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.697 0.76 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 53.9 Cg_endo -69.71 114.57 3.74 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 11' ' ' PRO . 53.3 Cg_endo -69.74 128.09 15.55 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.38 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.13 50.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.463 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 83.9 mtm-85 58.37 53.1 5.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.3 Cg_endo -69.73 96.36 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -71.04 106.31 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 24' ' ' ARG . 67.3 mtt-85 -122.93 133.93 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.4 t -43.77 126.92 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 19' ' ' THR . 34.7 m -74.15 5.64 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.623 HG23 ' CD1' ' A' ' 38' ' ' PHE . 75.2 t -115.02 -45.69 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -125.65 -7.27 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.5 mmt180 49.6 54.98 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HD2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -89.63 25.27 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 26' ' ' GLY . 12.8 ptt180 44.28 47.93 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.886 HG12 ' HD2' ' A' ' 23' ' ' LYS . 32.5 m -38.33 -26.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 81.06 -161.72 43.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.2 mt -71.19 -35.65 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.6 p -84.86 44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.29 -173.06 33.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -113.39 103.14 10.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.57 96.2 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 t -45.79 170.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -74.48 -42.4 59.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.0 p -45.64 -31.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 35.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 p -134.49 166.8 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -114.69 133.28 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD1' HG23 ' A' ' 20' ' ' VAL . 65.2 m-85 -136.37 177.77 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' ARG . 25.5 p -102.0 163.97 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.53 -24.34 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -88.52 -23.2 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.467 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.8 m170 -124.33 23.83 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 ptm180 -73.01 -31.86 64.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.426 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -62.73 147.92 92.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.969 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.589 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.12 -37.98 75.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 42' ' ' HIS . 74.4 t -59.24 -54.53 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.0 p-80 -94.72 33.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.62 74.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.6 t -61.15 123.31 17.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.5 p 40.51 41.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -85.1 172.22 11.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 81.18 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -112.03 177.38 4.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -114.96 92.5 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.0 m -160.86 166.0 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.72 102.25 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.49 114.72 5.83 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -107.86 142.91 37.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.16 154.83 16.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 116.91 4.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.9 t -50.13 153.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.3 m -90.01 156.96 18.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.517 179.984 . . . . . . . . 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 1.452 -0.281 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -94.66 89.31 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -78.08 -48.71 15.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.61 81.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -123.74 135.31 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -156.79 140.41 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.38 122.76 5.89 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.24 150.21 91.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.962 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 93.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.7 p -68.03 152.51 96.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 110.815 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.4 32.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 119.54 6.47 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -82.9 38.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 26.9 ttm-85 74.21 52.45 0.25 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.8 Cg_endo -69.74 95.65 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -106.85 126.78 52.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -111.79 129.03 56.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.1 t -42.1 156.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.588 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 31.6 m -100.37 1.07 41.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.536 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 39.6 t -114.6 -44.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.79 4.72 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.482 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 40.02 54.69 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.4 ptpt -89.84 44.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.534 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.7 ttt180 27.36 52.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 25' ' ' VAL . 34.5 m -49.57 101.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.06 -92.93 2.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tp -44.35 -38.46 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.387 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 28' ' ' THR . 5.8 t -122.56 89.21 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.55 119.89 3.02 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -102.75 117.82 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttt -91.84 98.36 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.84 169.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -73.33 -43.4 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.08 -32.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.73 35.72 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 p -133.84 161.37 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.572 HG22 HG21 ' A' ' 25' ' ' VAL . 4.6 m -112.99 125.35 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 93.0 m-85 -121.55 173.88 7.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -92.24 175.58 6.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.53 -19.46 53.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 28.1 m170 -112.84 20.05 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.75 -33.41 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.572 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.8 m-85 -65.86 147.09 98.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.727 0.775 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -55.41 -39.39 70.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 44' ' ' TYR . 84.3 t -54.29 -52.88 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.65 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.9 p-80 -99.76 37.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.09 65.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.0 t -50.09 154.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 t -151.18 110.51 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -100.08 122.16 42.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.86 112.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -112.04 125.86 54.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -93.0 167.44 11.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 t -74.93 137.12 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.72 125.2 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' SER . . . -128.99 41.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' GLY . 9.2 t -35.49 125.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.869 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.66 -94.85 1.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 158.23 57.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -173.6 167.71 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 m -54.15 159.97 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.544 179.982 . . . . . . . . 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 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -119.25 96.57 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -112.76 132.05 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.24 -168.16 32.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 m -116.84 153.4 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -68.62 134.67 50.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.38 -109.5 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 39.2 mt-30 39.04 54.88 5.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 8' ' ' GLN . 53.9 Cg_endo -69.71 155.22 66.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.9 t -95.31 144.51 27.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.65 67.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 93.51 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 5.0 mm-40 -75.64 79.68 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.696 ' HG2' HD12 ' A' ' 27' ' ' LEU . 10.5 tpp180 36.26 51.72 1.78 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.0 Cg_endo -69.77 91.3 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.64 2.227 . . . . 0.0 112.358 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -99.15 137.74 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 34.5 mtm-85 -139.37 126.52 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 11.9 t -41.1 156.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.5 m -101.27 0.24 36.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' HB ' ' ND1' ' A' ' 42' ' ' HIS . 70.5 t -112.58 -43.42 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 31.2 p -130.91 4.8 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 41.8 54.81 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.9 ptmt -86.94 38.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.8 mtp85 33.34 45.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.686 HG21 HG22 ' A' ' 37' ' ' THR . 19.8 m -39.49 -34.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' THR . . . 69.86 161.94 3.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.696 HD12 ' HG2' ' A' ' 14' ' ' ARG . 6.1 tt -34.17 -36.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' GLY . 38.5 p -79.61 45.53 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.19 -170.35 15.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -110.49 103.69 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.1 ttt -86.08 104.91 16.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -56.18 177.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 25.0 ptt180 -78.82 -45.0 21.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.6 p -42.59 -35.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.72 35.04 0.87 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 p -133.8 165.52 24.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.686 HG22 HG21 ' A' ' 25' ' ' VAL . 6.9 m -111.3 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 66.9 m-85 -128.33 174.37 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 20.9 p -96.49 156.81 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.08 -22.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.4 t -88.96 -36.02 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.418 ' ND1' ' HB ' ' A' ' 20' ' ' VAL . 25.7 m170 -108.73 25.49 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -74.37 -30.08 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -68.01 148.84 98.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.778 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.581 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.8 -44.21 2.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -53.42 -41.49 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.1 -56.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 23.7 p-80 -95.16 30.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.05 73.57 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.448 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.491 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.4 t -54.4 115.27 2.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 t -66.66 -25.09 66.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -78.75 113.28 16.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -108.11 131.28 54.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -103.28 129.63 50.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -48.93 141.06 8.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 m -128.35 97.61 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.26 162.7 38.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.91 142.11 12.28 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -54.4 123.06 11.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.949 0.404 . . . . 0.0 110.823 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.44 -95.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 92.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.288 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t -101.35 138.21 38.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -93.78 156.16 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.078 -0.845 . . . . 0.0 112.486 -179.985 . . . . . . . . 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 -0.364 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p -48.05 -54.13 14.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -103.97 160.49 14.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.53 111.64 0.97 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -174.69 151.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' GLY . 8.3 t -87.5 84.66 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 38.16 -143.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -128.33 139.56 35.83 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.48 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.3 m -137.74 139.94 28.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 168.28 22.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.653 2.236 . . . . 0.0 112.355 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 85.39 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.27 . . . . 0.0 112.382 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.63 -76.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 51.0 ttp180 -134.82 54.53 11.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.2 Cg_endo -69.81 101.42 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -141.36 110.81 6.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -125.46 125.94 44.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 21.1 t -41.9 149.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.595 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 27.7 m -94.52 1.97 55.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.11 -47.43 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.03 -2.1 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.494 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 48.74 53.82 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -86.41 39.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 30.6 51.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.557 HG21 HG22 ' A' ' 37' ' ' THR . 35.4 m -53.36 121.41 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.94 -137.0 4.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.1 mt -49.21 -52.19 28.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 58.7 p -53.65 -33.88 56.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' CA ' ' HB ' ' A' ' 25' ' ' VAL . . . -39.47 132.07 2.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 28' ' ' THR . 24.8 m-85 -101.84 151.25 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.8 ttt -118.14 101.36 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.7 172.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 24.7 ptt180 -78.39 -36.42 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.3 p -51.91 -30.89 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 38.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 p -135.72 165.83 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.557 HG22 HG21 ' A' ' 25' ' ' VAL . 13.3 m -113.92 129.55 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 84.7 m-85 -130.17 174.0 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 42' ' ' HIS . 21.7 p -96.34 153.99 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.1 -24.68 0.1 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' CYS . 15.7 t -86.91 -35.63 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.565 ' HA ' HG11 ' A' ' 47' ' ' VAL . 18.9 m170 -109.48 23.37 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.67 -33.25 72.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.457 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -64.51 150.07 94.17 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.687 0.756 . . . . 0.0 110.872 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.578 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.77 -45.99 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -54.72 -41.61 70.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 42' ' ' HIS . 79.2 t -53.04 -44.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 26.8 p-80 -110.14 36.45 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.32 65.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.477 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 12.9 t -46.95 127.34 9.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 51' ' ' THR . 6.4 t -162.08 123.1 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -82.15 37.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER 30.36 39.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.9 p90 -73.88 140.41 45.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -145.68 130.36 17.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -107.4 86.93 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.27 175.51 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.39 -78.69 0.74 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.8 p -81.96 80.87 8.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.6 -102.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 144.1 52.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -127.1 127.68 45.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.3 t -79.88 45.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 63' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 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 -0.312 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -95.19 102.45 14.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.813 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.4 m -129.83 123.23 30.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.19 90.56 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -59.75 100.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -108.35 154.1 22.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.0 161.65 21.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -107.88 120.99 45.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.74 48.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -56.87 148.87 46.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 53.7 Cg_endo -69.75 116.91 4.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 11' ' ' PRO . 54.3 Cg_endo -69.79 99.76 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.37 37.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 21.4 mtm180 61.22 54.94 3.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.722 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.8 Cg_endo -69.75 100.73 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -89.36 122.73 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -120.1 127.24 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 14.0 t -39.85 157.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.582 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.9 m -101.79 1.43 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 53.5 t -114.3 -44.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -129.11 5.22 5.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.6 ptpt -87.62 41.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.1 ttm-85 27.57 49.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.474 HG21 HG22 ' A' ' 37' ' ' THR . 5.3 m -36.35 -32.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 48.29 -152.06 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' GLY . 4.6 mm? -37.1 -53.21 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.916 0.389 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.8 p -76.99 63.42 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -120.76 168.26 14.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 29' ' ' GLY . 22.9 m-85 -133.88 102.18 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.3 ttt -78.87 99.44 6.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.5 t -51.14 178.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -78.83 -42.93 26.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.72 -31.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 40.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.33 166.1 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.163 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.474 HG22 HG21 ' A' ' 25' ' ' VAL . 9.8 m -111.66 130.24 55.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 87.6 m-85 -129.39 175.69 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.7 p -97.55 170.64 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.49 -20.83 32.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.3 t -93.56 -25.89 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.466 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 27.1 m170 -117.36 21.21 13.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.7 ptt180 -72.44 -31.67 65.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.8 m-85 -62.85 144.8 96.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.671 0.748 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.482 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.6 Cg_endo -69.77 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -37.33 83.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 44' ' ' TYR . 93.9 t -60.9 -57.92 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 10.7 p-80 -90.5 31.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 36.33 78.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t -70.38 126.65 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.7 p -107.76 83.07 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -71.33 125.46 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -76.24 129.23 36.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -61.0 171.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -90.29 -61.73 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.2 m -69.86 120.03 14.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.43 78.62 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.85 -171.78 42.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.515 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 m 59.54 42.5 17.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.965 0.412 . . . . 0.0 110.887 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.57 177.7 32.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -43.77 164.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.4 p -102.97 -51.38 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.497 179.979 . . . . . . . . 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 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -136.09 166.32 23.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -105.81 160.52 15.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.53 82.43 0.81 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -58.35 -52.28 66.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -60.17 144.78 49.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.78 137.51 13.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -83.75 139.23 40.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.14 61.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.0 p -109.65 121.7 41.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.682 0.753 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 147.99 64.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.248 . . . . 0.0 112.3 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 85.89 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.64 2.227 . . . . 0.0 112.323 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -82.56 48.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER 61.42 51.97 2.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.6 Cg_endo -69.84 96.18 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' ARG . 49.4 m-20 -104.46 125.89 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -134.68 131.09 37.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.4 t -56.63 125.39 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 19' ' ' THR . 10.1 m -74.98 6.8 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.452 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 55.7 t -116.98 -43.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -129.65 -2.98 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 15.3 mmt180 45.79 51.82 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HD2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.03 18.1 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.6 mpt_? 55.92 44.61 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.76 HG21 HG22 ' A' ' 37' ' ' THR . 27.8 m -35.03 129.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.88 -113.46 3.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -59.1 -36.94 76.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.4 p -89.56 35.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.51 106.99 3.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -94.77 112.9 24.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.0 ttt -90.2 99.31 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 t -47.72 169.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 4.8 ptp180 -76.19 -36.13 58.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.5 p -52.39 -32.8 40.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.25 40.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 p -137.94 166.47 23.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 0.0 111.187 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.76 HG22 HG21 ' A' ' 25' ' ' VAL . 13.7 m -117.17 132.15 56.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 64.5 m-85 -133.06 169.82 16.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.85 173.82 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.55 -15.75 33.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 t -95.96 -25.86 15.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.452 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.0 m170 -119.4 23.74 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -71.75 -29.01 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.611 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.0 m-85 -68.24 146.27 97.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.7 -43.11 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 9.5 pt-20 -57.21 -37.21 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG23 ' HB2' ' A' ' 44' ' ' TYR . 87.3 t -56.86 -54.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.636 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.7 p-80 -97.2 36.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.14 66.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.442 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.9 t -42.58 157.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 51' ' ' THR . 4.3 t -131.94 104.28 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' ASP . 17.4 t80 -132.19 132.72 43.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' PHE . 9.4 t70 -37.09 115.21 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -72.12 159.87 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -77.55 91.26 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.4 p -108.02 138.93 43.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.46 -52.33 2.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 145.61 -164.43 28.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -115.67 142.22 47.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.834 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.72 -169.47 41.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 179.55 3.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.244 . . . . 0.0 112.306 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -89.34 113.29 24.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.7 p -135.93 112.26 9.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.505 179.99 . . . . . . . . 0 0 . 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 -0.291 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -108.61 130.83 55.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -161.23 139.09 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.87 103.05 0.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -53.87 132.19 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 m -73.2 129.32 37.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.41 -171.14 14.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -145.14 137.75 13.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.914 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 127.71 14.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.6 t -124.87 142.41 40.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 165.2 31.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.39 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.53 17.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -81.22 45.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 9.2 mmm180 58.38 52.06 4.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.581 0.705 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.2 Cg_endo -69.79 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.347 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -117.9 114.59 23.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -120.57 124.92 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 16.4 t -42.8 159.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 19' ' ' THR . 45.9 m -103.39 1.94 33.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.47 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 41.4 t -115.43 -44.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 30.3 p -128.68 2.96 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 42.74 54.95 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.6 ptmt -87.27 40.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LYS . 12.5 mtt180 34.42 44.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 25' ' ' VAL . 15.1 m -42.37 117.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.9 -76.7 0.78 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.17 -38.5 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.6 p -98.34 40.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.74 102.92 2.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -93.05 118.59 31.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.923 0.392 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 ttt -89.57 98.5 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 t -50.49 173.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 3.4 ptp180 -76.7 -40.11 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 p -48.98 -32.84 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.86 34.4 1.06 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -131.72 165.78 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.11 125.87 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 79.2 m-85 -122.48 177.87 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 9.1 p -94.17 177.73 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.44 -20.8 61.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -95.4 -27.71 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.47 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 33.4 m170 -112.07 22.27 14.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -70.26 -31.13 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' HB2' HG23 ' A' ' 47' ' ' VAL . 60.6 m-85 -67.38 147.69 98.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.896 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.581 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 -42.46 3.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.641 2.227 . . . . 0.0 112.375 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 8.1 pt-20 -56.45 -36.67 69.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 44' ' ' TYR . 90.2 t -58.46 -52.74 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.655 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 24.9 p-80 -99.21 33.67 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.33 64.27 0.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.1 t -42.11 120.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.0 p -68.37 79.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.02 142.23 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 54' ' ' PHE . 8.0 m-20 -112.89 39.41 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' A' ' 53' ' ' ASP . 17.3 m-85 28.22 51.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -91.84 173.49 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 m -96.65 173.16 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.03 -61.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.2 49.92 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 p -52.14 175.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.43 -167.26 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.75 5.81 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' PRO . 2.5 t -30.36 96.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 61' ' ' PRO . 72.9 m -72.96 124.46 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.475 -179.966 . . . . . . . . 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 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -159.12 123.51 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -160.7 145.06 13.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.78 176.95 28.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -157.31 107.75 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -93.83 133.75 36.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.92 -108.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.437 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 9.6 tp60 -139.28 106.8 7.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 8' ' ' GLN . 54.1 Cg_endo -69.75 147.97 64.08 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.46 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 9.3 t 60.74 53.61 3.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.669 0.747 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 10' ' ' SER . 54.6 Cg_endo -69.7 133.23 25.17 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.293 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 105.61 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ARG . 8.3 mm-40 -78.26 78.68 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 40.7 mmt180 37.43 54.94 3.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.6 Cg_endo -69.77 151.07 68.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' ARG . 2.0 m120 -57.92 145.59 35.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -135.66 128.0 30.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -49.87 129.3 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 19' ' ' THR . 14.9 m -76.8 9.36 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 38' ' ' PHE . 43.0 t -116.69 -49.39 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -123.2 -8.98 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 55.7 55.01 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -91.01 37.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.9 mpt_? 36.44 43.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 25' ' ' VAL . 32.9 m -47.4 111.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.74 -133.64 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.57 -51.9 63.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.903 0.382 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.3 p -50.42 -37.38 37.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.58 147.18 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -113.15 152.89 29.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.4 ttt -115.56 97.35 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.37 161.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.33 -43.99 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.99 -32.06 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.87 39.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -136.12 167.77 20.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.578 HG22 HG21 ' A' ' 25' ' ' VAL . 11.8 m -116.15 133.14 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD1' HG23 ' A' ' 20' ' ' VAL . 75.5 m-85 -135.42 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' HIS . 22.7 p -94.22 154.2 17.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.19 -22.49 0.12 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' CYS . 45.5 t -89.36 -34.71 16.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.1 m170 -109.48 24.82 12.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -71.76 -31.02 66.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.498 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.6 m-85 -65.53 147.65 98.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.702 0.763 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.81 -44.21 2.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.49 -40.02 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 44' ' ' TYR . 90.9 t -54.24 -52.96 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.597 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.0 p-80 -99.57 34.74 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.74 63.93 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t -39.44 138.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 51' ' ' THR . 6.7 t -136.27 105.2 5.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -107.57 108.78 20.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.75 111.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.57 97.83 11.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -39.12 145.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.0 t -163.59 147.46 10.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.09 -48.28 7.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.17 50.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.9 m -77.18 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 62' ' ' SER . . . 103.05 145.11 14.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 15.37 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.403 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 60' ' ' GLY . 1.8 m 63.52 43.3 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' SER . 50.1 p 35.38 42.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.45 -179.973 . . . . . . . . 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 -0.301 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 56.65 42.14 27.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -101.07 164.86 11.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.61 -139.72 7.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -73.66 84.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -58.46 -53.94 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.91 -111.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 18.3 mm-40 39.55 54.16 5.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 8' ' ' GLN . 54.3 Cg_endo -69.7 1.31 4.51 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 p -90.22 115.7 64.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.684 0.754 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 88.38 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' ARG . 13.1 pt20 -94.17 84.6 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 57.4 ttt180 36.52 52.6 2.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.698 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.2 Cg_endo -69.76 123.38 10.04 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -69.71 102.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -110.97 130.45 55.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.1 t -51.46 127.4 19.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 19' ' ' THR . 3.5 m -75.54 8.55 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' CE1' ' A' ' 38' ' ' PHE . 43.0 t -116.79 -45.38 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -126.4 -8.14 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 53.53 55.04 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -95.44 39.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.45 54.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.607 HG21 HG22 ' A' ' 37' ' ' THR . 19.4 m -51.69 163.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.23 -129.15 1.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -43.73 -43.78 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' GLY . 25.2 p -73.12 -38.99 66.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 28' ' ' THR . . . -35.79 145.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 28' ' ' THR . 31.1 m-85 -120.31 125.4 47.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -91.25 96.98 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -47.0 167.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.45 -40.11 67.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -48.16 -32.16 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.01 36.36 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -134.1 168.41 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.607 HG22 HG21 ' A' ' 25' ' ' VAL . 9.1 m -116.55 136.14 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 76.0 m-85 -136.19 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.5 p -93.37 156.92 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.73 -20.95 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -91.93 -30.36 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.4 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CD2' HG11 ' A' ' 47' ' ' VAL . 38.7 m170 -112.8 23.13 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -70.98 -26.07 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.627 ' HB2' HG23 ' A' ' 47' ' ' VAL . 95.4 m-85 -68.68 147.94 98.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -41.48 4.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.72 -37.18 78.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.627 HG23 ' HB2' ' A' ' 44' ' ' TYR . 63.9 t -57.55 -49.28 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.642 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 20.3 p-80 -102.43 31.35 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.41 67.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.539 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.53 136.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -83.95 40.02 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -79.45 115.54 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -85.68 105.58 16.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 56' ' ' SER . 6.4 p90 -57.43 177.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -83.4 127.83 34.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' ALA . 93.6 p -155.23 176.91 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' SER . . . -34.45 137.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.24 155.09 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -141.21 110.61 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.82 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' HA3' ' HD2' ' A' ' 61' ' ' PRO . . . -89.73 -132.04 4.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.415 ' HD2' ' HA3' ' A' ' 60' ' ' GLY . 54.0 Cg_endo -69.79 98.26 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 t -80.63 45.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.8 p -116.39 90.07 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.459 -179.991 . . . . . . . . 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 1.45 -0.374 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -114.79 92.26 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -99.37 142.43 30.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.54 167.89 24.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -156.42 162.4 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -172.08 151.32 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.08 141.56 5.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -53.58 130.16 54.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -36.46 10.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.617 2.212 . . . . 0.0 112.318 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.438 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 88.6 p 49.47 55.04 16.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.748 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 10' ' ' SER . 53.4 Cg_endo -69.75 117.42 5.07 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 95.4 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -95.65 81.34 3.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 4.2 tpm_? 40.4 54.02 6.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.5 Cg_endo -69.8 130.28 19.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -118.96 89.59 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 -102.15 143.2 32.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.8 t -53.73 126.58 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -75.64 8.75 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG23 ' CE1' ' A' ' 38' ' ' PHE . 52.6 t -116.86 -45.81 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -126.62 -7.43 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 53.51 55.01 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 7.8 ptmt -94.02 33.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' GLY . 5.8 ptt180 33.43 45.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.521 HG21 HG22 ' A' ' 37' ' ' THR . 31.5 m -38.88 -27.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 72.02 -159.93 53.9 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.9 mt -57.14 -52.65 64.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' GLY . 24.8 p -48.84 -39.89 27.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 25' ' ' VAL . . . -37.02 136.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -72.02 148.56 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -118.79 99.84 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -50.13 165.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -70.33 -44.05 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 p -44.49 -33.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 38.39 0.84 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -132.98 175.78 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 111.167 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.521 HG22 HG21 ' A' ' 25' ' ' VAL . 20.4 m -124.54 133.76 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.761 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.4 m-85 -135.88 175.75 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.431 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.7 p -93.44 172.3 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.02 -17.45 36.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -97.26 -24.11 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.466 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 41.1 m170 -118.18 24.02 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -72.3 -29.0 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.461 ' HB2' HG23 ' A' ' 47' ' ' VAL . 83.4 m-85 -68.19 146.74 98.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.7 -42.36 3.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 13.2 pt-20 -56.74 -38.33 72.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 44' ' ' TYR . 81.5 t -56.06 -56.66 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.761 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 24.2 p-80 -94.25 35.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.51 67.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.6 t -49.18 110.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.945 0.403 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 49' ' ' GLY . 18.2 p -107.99 39.92 1.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -39.68 130.45 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -99.09 107.97 20.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 55' ' ' LYS . 3.1 p90 -75.81 159.63 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 2.9 mptt -54.84 162.01 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.6 p -86.66 127.63 34.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -160.83 114.61 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.38 90.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 t -102.75 125.41 49.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 62' ' ' SER . . . 156.97 -66.03 0.3 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.76 13.88 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.364 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' PRO . 80.0 p -30.12 111.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 p -127.14 125.14 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.449 -179.953 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -146.25 131.24 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.386 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -165.4 142.08 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.56 133.66 7.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -131.53 98.34 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -163.22 173.0 13.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.83 58.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -121.56 98.58 45.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 172.85 11.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.2 p -43.82 124.89 4.06 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.38 12.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.274 . . . . 0.0 112.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 87.04 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -65.98 -75.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 5.5 ptt180 -134.74 54.5 11.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.9 Cg_endo -69.8 140.36 42.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -84.33 91.23 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 -97.88 143.75 28.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.436 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 23.2 t -50.7 127.05 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 19' ' ' THR . 19.3 m -75.62 8.38 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG23 ' CD1' ' A' ' 38' ' ' PHE . 78.9 t -118.6 -42.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 27.1 p -129.83 -5.16 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 50.24 54.45 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 11.1 ptpt -94.58 38.33 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.6 52.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG21 HG22 ' A' ' 37' ' ' THR . 27.8 m -39.03 -25.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 112.87 -159.51 13.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.61 -47.82 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 p -74.01 -70.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.92 -159.22 1.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.43 91.11 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -79.73 106.18 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 t -56.33 176.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -79.52 -36.74 38.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -53.17 -29.93 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.35 34.37 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 p -132.77 164.99 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.422 HG22 HG21 ' A' ' 25' ' ' VAL . 16.0 m -112.65 133.33 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.533 ' CD1' HG23 ' A' ' 20' ' ' VAL . 56.5 m-85 -136.81 175.66 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' ARG . 29.4 p -97.09 166.47 11.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.46 -23.87 10.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.6 m -89.07 -26.35 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.486 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 49.0 m170 -118.96 24.37 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 6.2 ptm180 -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.6 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.1 m-85 -67.96 147.23 98.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.959 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.76 -42.7 3.17 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.646 2.231 . . . . 0.0 112.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.65 -40.24 87.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 44' ' ' TYR . 74.9 t -55.86 -52.17 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 14.2 p-80 -97.64 36.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.32 73.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.0 t -66.95 117.55 9.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.6 p -76.57 82.1 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.49 148.86 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.55 98.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.45 136.33 56.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -55.48 151.61 10.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.8 p -64.18 142.1 58.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.51 152.09 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -176.72 -54.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.546 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.0 p -81.24 119.77 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.946 0.403 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.39 -164.13 28.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -47.29 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 58.79 42.15 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.0 t -49.8 -51.2 41.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.494 -179.952 . . . . . . . . 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 -0.352 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -85.64 -44.07 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 44.79 42.16 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.6 129.14 3.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -40.67 -50.86 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m 62.27 41.74 10.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.61 89.63 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -96.61 149.6 36.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' SER . 54.0 Cg_endo -69.69 139.83 41.44 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' PRO . 71.9 m -35.1 136.25 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 53.9 Cg_endo -69.74 111.31 2.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 11' ' ' PRO . 53.7 Cg_endo -69.84 85.75 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.293 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -66.13 -75.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 13.7 tpt180 -135.04 54.59 11.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.67 0.748 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.1 Cg_endo -69.75 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -81.29 98.58 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -104.82 137.59 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 22' ' ' ARG . 31.0 t -48.83 127.22 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 19' ' ' THR . 4.3 m -74.77 7.5 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 39.6 t -114.3 -46.32 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 p -127.78 -7.68 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.5 mmt85 54.73 54.68 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -92.46 34.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.0 ptt85 32.53 50.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.438 HG21 HG22 ' A' ' 37' ' ' THR . 33.2 m -43.71 -33.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 47.21 -156.81 0.68 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -41.98 -38.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.953 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.9 p -84.04 44.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.53 170.39 20.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -113.8 148.37 36.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -118.21 96.23 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.7 t -45.79 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 41.9 ptt85 -73.11 -39.81 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 6.0 p -48.04 -34.16 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 34.77 1.01 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 p -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.438 HG22 HG21 ' A' ' 25' ' ' VAL . 17.6 m -113.14 134.61 54.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.646 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 57.9 m-85 -138.22 176.9 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' HIS . 28.5 p -97.51 157.05 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.48 -21.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' CYS . 26.2 t -91.92 -30.67 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.848 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' CYS . 38.6 m170 -113.24 24.68 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -72.12 -29.24 63.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -67.42 147.58 98.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.69 0.757 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.588 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.8 -43.97 2.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -55.69 -40.56 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.496 HG23 ' HB2' ' A' ' 44' ' ' TYR . 94.9 t -53.79 -51.92 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.646 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 21.4 p-80 -100.24 33.96 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.01 63.95 0.29 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.1 t -39.95 144.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.9 p -121.61 99.85 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 43.5 t80 -89.9 160.63 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' N ' ' CG ' ' A' ' 52' ' ' PHE . 14.0 t70 -70.28 100.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -108.32 174.82 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -126.16 98.46 5.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -157.98 121.14 3.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.79 96.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.79 -122.21 1.97 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.5 p -88.69 112.07 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.8 126.76 10.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -177.62 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.319 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 m -112.69 124.6 52.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -63.62 162.96 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.452 -179.969 . . . . . . . . 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 -0.286 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -156.97 144.97 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.867 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -156.26 166.31 33.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.85 71.64 0.95 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 p -84.75 117.88 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -83.17 130.97 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.46 -154.79 8.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -130.52 77.84 75.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 139.17 39.44 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -66.04 122.13 79.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.693 0.759 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.94 43.81 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.64 2.227 . . . . 0.0 112.372 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 106.02 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mp0 -81.23 42.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 92.9 mtt180 54.82 53.18 9.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.3 Cg_endo -69.78 158.21 57.72 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -148.16 116.53 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 27.8 mtm180 -107.06 137.93 44.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 20.2 t -45.05 146.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.3 m -92.46 1.64 57.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.516 HG23 ' HD1' ' A' ' 38' ' ' PHE . 53.8 t -110.43 -47.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -128.5 -0.32 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.503 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 47.45 55.02 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.54 ' HE2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.07 23.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 2.5 mpt_? 48.14 54.28 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.542 HG21 HG22 ' A' ' 37' ' ' THR . 20.8 m -50.19 -24.75 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' LEU . . . 92.6 161.41 36.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 26' ' ' GLY . 5.6 tt -34.06 -62.2 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.2 p -52.51 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.32 -157.4 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE2' ' CA ' ' A' ' 40' ' ' GLY . 65.9 m-85 -124.73 82.69 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -69.82 119.62 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -75.91 172.14 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 12.9 ptt180 -70.38 -45.52 65.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 p -44.16 -32.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.83 31.93 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 p -129.89 172.0 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.542 HG22 HG21 ' A' ' 25' ' ' VAL . 10.7 m -118.67 130.14 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 61.9 m-85 -131.06 176.81 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 43' ' ' ARG . 13.0 p -97.18 173.03 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' CE2' ' A' ' 30' ' ' PHE . . . -55.8 -26.91 48.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.438 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.44 -29.73 21.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.578 ' HA ' HG11 ' A' ' 47' ' ' VAL . 16.7 m170 -113.45 22.15 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.3 ptt180 -71.44 -32.44 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.9 m-85 -66.15 149.71 97.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.684 0.755 . . . . 0.0 110.933 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.588 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.8 -43.46 2.62 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 11.4 pt-20 -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 42' ' ' HIS . 73.7 t -56.86 -49.67 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.8 p-80 -101.04 34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.93 72.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t -62.9 131.45 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p 41.66 40.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -91.38 141.21 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -142.01 120.57 12.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -45.05 118.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -76.47 -60.66 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -40.82 125.46 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -120.45 123.85 44.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.66 161.14 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.431 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.0 t -135.3 131.19 36.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.02 78.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.254 . . . . 0.0 112.331 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t 69.88 42.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.7 p -52.93 122.54 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.464 179.961 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -111.11 114.45 27.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.815 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 p -151.71 172.78 15.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.11 162.9 10.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -100.02 150.56 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -56.99 168.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.22 120.59 6.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 1.4 pm0 -39.23 103.5 0.28 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 8' ' ' GLN . 53.7 Cg_endo -69.82 165.42 31.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.629 2.22 . . . . 0.0 112.335 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -87.72 115.08 61.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 161.29 46.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.385 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 53.5 Cg_endo -69.76 105.99 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.377 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -73.58 75.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.479 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 11.1 tpt180 38.3 51.86 3.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.0 Cg_endo -69.75 101.12 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.381 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -82.16 86.2 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' CYS . 38.8 mtt85 -111.25 123.5 50.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.4 t -35.35 128.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 19' ' ' THR . 5.2 m -72.3 4.01 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.413 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 79.6 t -111.88 -46.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.48 -10.17 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt85 55.36 55.02 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 10.5 ptmt -89.26 27.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.4 ptm180 43.9 33.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 HG22 ' A' ' 37' ' ' THR . 26.6 m -34.46 121.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -33.04 148.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' GLY . 0.4 OUTLIER -34.01 -54.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.912 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' GLY . 40.9 p -54.12 -51.74 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' THR . . . 35.62 -154.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 43' ' ' ARG . 1.4 m-85 -124.49 56.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.7 ttt -47.36 99.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.9 t -57.84 172.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.83 -41.51 64.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.46 -31.22 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 39.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -138.3 158.57 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 111.148 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.57 HG22 HG21 ' A' ' 25' ' ' VAL . 2.5 m -108.53 127.97 54.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -129.35 174.57 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.0 p -96.47 157.01 16.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.0 -22.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 t -89.35 -33.84 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.413 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 45.6 m170 -111.02 24.32 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.583 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 17.8 ptt180 -75.03 -26.82 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.77 ' HB2' HG23 ' A' ' 47' ' ' VAL . 25.0 m-85 -65.11 145.69 99.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.706 0.765 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.2 Cg_endo -69.77 -31.02 21.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 47' ' ' VAL . 7.9 pm0 -70.4 -28.84 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.77 HG23 ' HB2' ' A' ' 44' ' ' TYR . 60.9 t -67.51 -51.58 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 6.3 p-80 -93.74 -14.09 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' PRO . . . 79.02 88.06 0.48 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 1.8 t -80.91 105.66 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.8 p -126.76 91.34 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -65.5 116.37 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -87.69 137.51 32.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -48.88 118.96 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -40.16 121.06 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.5 t -104.53 152.41 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.1 91.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.3 68.58 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.9 p -92.95 -31.19 15.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.949 0.404 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.12 -167.34 12.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -175.93 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.374 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.4 m -156.52 121.16 4.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.9 p -159.59 168.18 26.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.481 -179.957 . . . . . . . . 0 0 . 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 -0.35 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -135.9 148.25 48.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 110.908 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -164.32 144.79 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.33 79.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 m -129.42 142.42 50.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -80.24 -53.03 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.35 34.26 3.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.636 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 3.2 tt0 -66.52 -52.34 36.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.75 148.78 65.86 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.1 m -103.29 156.73 35.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.731 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 157.64 59.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 90.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.388 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -68.33 -75.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 69.2 mtt-85 -134.95 55.15 12.87 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.7 Cg_endo -69.77 154.95 67.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -103.76 129.54 51.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 mtt180 -139.3 134.22 32.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' ARG . 18.2 t -50.4 121.49 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -71.69 4.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 44.6 t -111.43 -48.29 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -123.42 -8.07 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt85 53.75 52.86 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -87.61 23.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 0.9 OUTLIER 38.98 48.24 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG21 HG22 ' A' ' 37' ' ' THR . 28.7 m -39.21 -28.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 43.25 -131.04 5.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.49 -42.23 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -91.21 91.36 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.61 -165.2 16.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -148.45 118.73 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.86 99.34 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.79 169.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 11.5 ptt180 -75.12 -38.06 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.8 p -50.63 -31.49 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -133.74 174.28 10.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.089 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.462 HG22 HG21 ' A' ' 25' ' ' VAL . 25.5 m -122.13 137.5 54.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.403 ' CE1' HG23 ' A' ' 20' ' ' VAL . 70.3 m-85 -141.23 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ARG . 30.9 p -96.55 169.1 10.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.21 -22.2 13.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.1 m -88.19 -29.73 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.5 m170 -118.86 24.83 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.6 ptt180 -73.3 -32.34 64.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.9 m-85 -63.33 148.81 92.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.595 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 -44.85 1.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.27 -40.63 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.546 HG23 ' HB2' ' A' ' 44' ' ' TYR . 97.6 t -54.48 -50.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 16.7 p-80 -101.19 35.56 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.0 67.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.4 t -49.14 158.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 51' ' ' THR . 5.2 t -136.94 106.53 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -109.29 113.22 25.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.95 126.1 11.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -98.45 136.87 37.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -67.28 176.91 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 p -117.06 115.62 25.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.02 139.68 26.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.74 150.5 29.62 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t 67.7 42.29 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.31 -177.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -119.24 176.97 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -78.72 99.91 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.48 179.947 . . . . . . . . 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 1.451 -0.333 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -106.26 93.8 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -146.41 160.95 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.18 -135.18 4.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -166.16 145.05 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.816 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -44.56 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.78 164.74 18.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -158.55 111.61 1.66 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -74.16 134.45 77.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.684 0.754 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 125.33 12.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.9 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.377 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -74.29 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 12.3 tpt180 -134.96 55.3 13.31 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.4 Cg_endo -69.77 138.28 37.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.21 98.66 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 -119.5 133.44 55.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.531 ' HB2' HG13 ' A' ' 25' ' ' VAL . 35.0 t -57.27 124.77 20.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -73.55 8.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.554 HG23 ' CD1' ' A' ' 38' ' ' PHE . 66.8 t -118.81 -45.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -127.11 -5.26 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 49.35 54.88 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -92.04 32.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 43.17 37.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 37' ' ' THR . 34.4 m -38.07 121.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.05 -91.18 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -41.57 -43.86 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -118.9 50.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.38 106.67 3.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -86.26 149.21 25.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -118.73 103.5 9.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -53.22 168.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -73.5 -41.1 63.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -45.84 -36.97 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.68 39.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -136.58 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.18 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.584 HG22 HG21 ' A' ' 25' ' ' VAL . 7.5 m -119.15 135.71 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CD1' HG23 ' A' ' 20' ' ' VAL . 71.9 m-85 -137.32 174.59 10.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.456 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 24.6 p -90.79 175.74 6.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.88 -20.46 62.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -94.1 -25.62 17.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.573 ' HA ' HG11 ' A' ' 47' ' ' VAL . 51.4 m170 -116.33 23.55 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -72.34 -32.19 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.538 ' HB2' HG23 ' A' ' 47' ' ' VAL . 28.4 m-85 -66.92 150.05 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -42.96 2.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.33 -37.74 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.573 HG11 ' HA ' ' A' ' 42' ' ' HIS . 86.5 t -56.04 -52.14 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 25.5 p-80 -100.16 38.13 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.01 62.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.4 t -39.95 135.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.3 p -80.61 41.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -95.0 127.22 40.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -147.38 139.11 24.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -90.08 165.86 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -44.96 101.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -167.07 174.56 8.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.38 87.8 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.061 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.14 -133.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 m -96.85 115.51 27.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.01 -64.27 2.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.417 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 130.33 19.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -155.61 153.41 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.9 m -94.87 173.39 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.498 179.973 . . . . . . . . 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 ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 27.5 t -54.25 126.31 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' HG22 ' A' ' 19' ' ' THR . 5.3 m -74.71 6.64 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 46.0 t -114.96 -44.67 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.38 -3.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 11.1 mmt180 49.32 55.01 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -85.28 15.46 4.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 3.1 mpt_? 58.99 37.83 24.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.806 HG21 HG22 ' A' ' 37' ' ' THR . 31.3 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttt -88.52 98.61 11.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 t -48.49 165.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -70.44 -43.31 70.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 p -46.21 -34.0 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.88 39.08 0.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -136.31 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.164 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.806 HG22 HG21 ' A' ' 25' ' ' VAL . 8.2 m -118.9 132.97 56.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.514 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.7 m-85 -134.94 175.17 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 27.6 p -95.62 157.28 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.31 -21.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -90.46 -30.85 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.442 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.5 m170 -114.97 26.61 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.53 -27.08 61.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.572 ' HB2' HG23 ' A' ' 47' ' ' VAL . 88.1 m-85 -67.12 147.42 99.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.676 0.751 . . . . 0.0 110.93 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.585 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.8 -43.01 2.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.42 -38.8 78.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 44' ' ' TYR . 85.8 t -56.16 -48.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 18.7 p-80 -103.13 31.38 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 35.38 70.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -54.51 128.04 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' HG22 ' A' ' 19' ' ' THR . 18.8 m -76.4 9.39 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 38' ' ' PHE . 72.3 t -119.3 -44.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -125.95 -8.01 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.414 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 52.38 54.94 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HG3' HG13 ' A' ' 25' ' ' VAL . 3.1 ptmt -92.99 37.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.5 mmt85 34.91 43.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.627 HG21 HG22 ' A' ' 37' ' ' THR . 21.6 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -82.52 100.06 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -52.18 172.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -73.79 -45.99 48.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -42.25 -35.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.07 32.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 p -130.16 175.21 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.627 HG22 HG21 ' A' ' 25' ' ' VAL . 17.4 m -124.34 137.73 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.641 ' CD1' HG23 ' A' ' 20' ' ' VAL . 73.4 m-85 -138.48 173.78 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.5 p -89.58 175.44 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.5 -18.75 56.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 t -95.4 -26.32 15.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.53 ' HA ' HG11 ' A' ' 47' ' ' VAL . 36.9 m170 -115.86 24.24 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -72.51 -31.55 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.401 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.7 m-85 -64.87 149.95 95.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.593 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 -43.27 2.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -40.75 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.53 HG11 ' HA ' ' A' ' 42' ' ' HIS . 72.2 t -54.64 -50.82 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.607 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 p-80 -101.52 35.49 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.62 67.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 19.6 t -52.08 124.59 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.495 ' O ' HG22 ' A' ' 19' ' ' THR . 8.2 m -73.62 5.79 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.601 HG23 ' CD1' ' A' ' 38' ' ' PHE . 72.5 t -114.96 -43.19 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -128.33 -6.25 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 35.9 mmm-85 50.69 54.79 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.67 38.07 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.0 mpt_? 33.86 40.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG21 HG22 ' A' ' 37' ' ' THR . 25.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -93.26 99.34 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -50.83 171.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -73.42 -44.56 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 p -42.91 -33.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 30.74 1.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 p -130.22 177.89 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 25' ' ' VAL . 19.7 m -127.83 139.74 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 66.1 m-85 -138.12 178.0 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.7 p -94.4 175.03 6.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.35 -18.45 50.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -97.14 -25.19 15.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' PHE . 41.4 m170 -115.9 23.73 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -73.46 -27.38 61.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.612 ' HB2' HG23 ' A' ' 47' ' ' VAL . 89.4 m-85 -66.31 147.08 99.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.681 0.753 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.59 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.77 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.76 -40.06 82.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 44' ' ' TYR . 84.7 t -55.21 -52.06 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.75 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 14.5 p-80 -98.35 32.15 2.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.45 69.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.5 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 13.6 t -49.48 129.33 18.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 19' ' ' THR . 22.8 m -75.5 7.05 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 ' CE1' ' A' ' 38' ' ' PHE . 53.7 t -115.71 -49.82 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.99 -3.41 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.412 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 6.3 mmm180 49.01 55.03 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.997 ' HE3' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.7 23.56 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HD3' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 50.85 54.77 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.997 HG12 ' HE3' ' A' ' 23' ' ' LYS . 28.2 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -117.57 103.89 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 t -54.52 168.47 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -72.21 -43.82 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 p -45.68 -34.26 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.96 38.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 p -133.34 164.18 27.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.17 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.732 HG22 HG21 ' A' ' 25' ' ' VAL . 3.0 m -115.02 129.06 56.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 84.7 m-85 -129.68 -178.4 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' ARG . 31.0 p -106.82 164.94 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.29 -20.12 3.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -91.21 -25.07 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.545 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 31.9 m170 -125.76 26.0 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' CYS . 18.9 ptt180 -72.61 -27.33 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.528 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.7 m-85 -69.94 148.03 96.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.77 -43.88 2.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.65 -36.88 70.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.528 HG23 ' HB2' ' A' ' 44' ' ' TYR . 96.1 t -58.07 -52.64 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.634 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 22.8 p-80 -99.04 32.83 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.47 65.0 0.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.3 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 24' ' ' ARG . 67.3 mtt-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.4 t -43.77 126.92 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 19' ' ' THR . 34.7 m -74.15 5.64 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.623 HG23 ' CD1' ' A' ' 38' ' ' PHE . 75.2 t -115.02 -45.69 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -125.65 -7.27 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.5 mmt180 49.6 54.98 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HD2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -89.63 25.27 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 23' ' ' LYS . 12.8 ptt180 44.28 47.93 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.886 HG12 ' HD2' ' A' ' 23' ' ' LYS . 32.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.855 0.36 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.57 96.2 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 t -45.79 170.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -74.48 -42.4 59.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.0 p -45.64 -31.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 35.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 p -134.49 166.8 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -114.69 133.28 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD1' HG23 ' A' ' 20' ' ' VAL . 65.2 m-85 -136.37 177.77 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' ARG . 25.5 p -102.0 163.97 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.53 -24.34 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -88.52 -23.2 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.467 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.8 m170 -124.33 23.83 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 ptm180 -73.01 -31.86 64.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.426 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -62.73 147.92 92.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.969 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.589 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.12 -37.98 75.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 42' ' ' HIS . 74.4 t -59.24 -54.53 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.0 p-80 -94.72 33.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.62 74.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.918 0.39 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.1 t -42.1 156.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.588 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 31.6 m -100.37 1.07 41.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.536 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 39.6 t -114.6 -44.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.79 4.72 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.482 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 40.02 54.69 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.4 ptpt -89.84 44.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.534 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.7 ttt180 27.36 52.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 25' ' ' VAL . 34.5 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttt -91.84 98.36 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.84 169.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -73.33 -43.4 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.08 -32.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.73 35.72 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 p -133.84 161.37 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.572 HG22 HG21 ' A' ' 25' ' ' VAL . 4.6 m -112.99 125.35 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 93.0 m-85 -121.55 173.88 7.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -92.24 175.58 6.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.53 -19.46 53.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 28.1 m170 -112.84 20.05 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.75 -33.41 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.572 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.8 m-85 -65.86 147.09 98.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.727 0.775 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -55.41 -39.39 70.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 44' ' ' TYR . 84.3 t -54.29 -52.88 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.65 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.9 p-80 -99.76 37.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.09 65.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.0 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 34.5 mtm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.917 0.389 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 11.9 t -41.1 156.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.5 m -101.27 0.24 36.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' HB ' ' ND1' ' A' ' 42' ' ' HIS . 70.5 t -112.58 -43.42 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 31.2 p -130.91 4.8 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 41.8 54.81 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.9 ptmt -86.94 38.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.8 mtp85 33.34 45.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.686 HG21 HG22 ' A' ' 37' ' ' THR . 19.8 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.1 ttt -86.08 104.91 16.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -56.18 177.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 25.0 ptt180 -78.82 -45.0 21.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.6 p -42.59 -35.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.72 35.04 0.87 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 p -133.8 165.52 24.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.686 HG22 HG21 ' A' ' 25' ' ' VAL . 6.9 m -111.3 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 66.9 m-85 -128.33 174.37 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 20.9 p -96.49 156.81 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.08 -22.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.4 t -88.96 -36.02 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.418 ' ND1' ' HB ' ' A' ' 20' ' ' VAL . 25.7 m170 -108.73 25.49 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -74.37 -30.08 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -68.01 148.84 98.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.778 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.581 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.8 -44.21 2.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -53.42 -41.49 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.1 -56.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 23.7 p-80 -95.16 30.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.05 73.57 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.448 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.491 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.391 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 21.1 t -41.9 149.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.595 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 27.7 m -94.52 1.97 55.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.11 -47.43 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.03 -2.1 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.494 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 48.74 53.82 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -86.41 39.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 30.6 51.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.557 HG21 HG22 ' A' ' 37' ' ' THR . 35.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.8 ttt -118.14 101.36 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.7 172.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 24.7 ptt180 -78.39 -36.42 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.3 p -51.91 -30.89 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 38.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 p -135.72 165.83 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.557 HG22 HG21 ' A' ' 25' ' ' VAL . 13.3 m -113.92 129.55 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 84.7 m-85 -130.17 174.0 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 42' ' ' HIS . 21.7 p -96.34 153.99 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.1 -24.68 0.1 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' CYS . 15.7 t -86.91 -35.63 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.565 ' HA ' HG11 ' A' ' 47' ' ' VAL . 18.9 m170 -109.48 23.37 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.67 -33.25 72.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.457 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -64.51 150.07 94.17 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.687 0.756 . . . . 0.0 110.872 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.578 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.77 -45.99 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -54.72 -41.61 70.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 42' ' ' HIS . 79.2 t -53.04 -44.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 26.8 p-80 -110.14 36.45 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.32 65.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.477 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 12.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 14.0 t -39.85 157.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.582 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.9 m -101.79 1.43 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 53.5 t -114.3 -44.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -129.11 5.22 5.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.478 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.6 ptpt -87.62 41.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.1 ttm-85 27.57 49.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.474 HG21 HG22 ' A' ' 37' ' ' THR . 5.3 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.3 ttt -78.87 99.44 6.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HG ' ' CE1' ' A' ' 48' ' ' HIS . 2.5 t -51.14 178.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -78.83 -42.93 26.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.72 -31.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 40.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.33 166.1 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.163 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.474 HG22 HG21 ' A' ' 25' ' ' VAL . 9.8 m -111.66 130.24 55.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 87.6 m-85 -129.39 175.69 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.7 p -97.55 170.64 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.49 -20.83 32.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.3 t -93.56 -25.89 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.466 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 27.1 m170 -117.36 21.21 13.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.7 ptt180 -72.44 -31.67 65.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.8 m-85 -62.85 144.8 96.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.671 0.748 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.482 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.6 Cg_endo -69.77 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -37.33 83.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 44' ' ' TYR . 93.9 t -60.9 -57.92 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 10.7 p-80 -90.5 31.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 36.33 78.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.4 t -56.63 125.39 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 19' ' ' THR . 10.1 m -74.98 6.8 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.452 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 55.7 t -116.98 -43.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -129.65 -2.98 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 15.3 mmt180 45.79 51.82 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HD2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.03 18.1 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.6 mpt_? 55.92 44.61 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.76 HG21 HG22 ' A' ' 37' ' ' THR . 27.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.0 ttt -90.2 99.31 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 t -47.72 169.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 4.8 ptp180 -76.19 -36.13 58.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.5 p -52.39 -32.8 40.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.25 40.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 p -137.94 166.47 23.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 0.0 111.187 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.76 HG22 HG21 ' A' ' 25' ' ' VAL . 13.7 m -117.17 132.15 56.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 64.5 m-85 -133.06 169.82 16.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.85 173.82 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.55 -15.75 33.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 t -95.96 -25.86 15.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.452 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.0 m170 -119.4 23.74 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -71.75 -29.01 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.611 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.0 m-85 -68.24 146.27 97.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.7 -43.11 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 9.5 pt-20 -57.21 -37.21 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG23 ' HB2' ' A' ' 44' ' ' TYR . 87.3 t -56.86 -54.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.636 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.7 p-80 -97.2 36.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.14 66.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.442 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.853 0.359 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 16.4 t -42.8 159.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 19' ' ' THR . 45.9 m -103.39 1.94 33.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.47 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 41.4 t -115.43 -44.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 30.3 p -128.68 2.96 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 42.74 54.95 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.6 ptmt -87.27 40.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LYS . 12.5 mtt180 34.42 44.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 25' ' ' VAL . 15.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.923 0.392 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 ttt -89.57 98.5 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 t -50.49 173.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 3.4 ptp180 -76.7 -40.11 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 p -48.98 -32.84 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.86 34.4 1.06 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -131.72 165.78 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.11 125.87 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 79.2 m-85 -122.48 177.87 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 9.1 p -94.17 177.73 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.44 -20.8 61.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -95.4 -27.71 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.47 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 33.4 m170 -112.07 22.27 14.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -70.26 -31.13 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' HB2' HG23 ' A' ' 47' ' ' VAL . 60.6 m-85 -67.38 147.69 98.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.896 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.581 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 -42.46 3.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.641 2.227 . . . . 0.0 112.375 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 8.1 pt-20 -56.45 -36.67 69.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 44' ' ' TYR . 90.2 t -58.46 -52.74 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.655 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 24.9 p-80 -99.21 33.67 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.33 64.27 0.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.1 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -49.87 129.3 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.557 ' O ' HG22 ' A' ' 19' ' ' THR . 14.9 m -76.8 9.36 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 38' ' ' PHE . 43.0 t -116.69 -49.39 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -123.2 -8.98 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 55.7 55.01 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -91.01 37.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.9 mpt_? 36.44 43.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 25' ' ' VAL . 32.9 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.4 ttt -115.56 97.35 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.37 161.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.33 -43.99 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.99 -32.06 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.87 39.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -136.12 167.77 20.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.578 HG22 HG21 ' A' ' 25' ' ' VAL . 11.8 m -116.15 133.14 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD1' HG23 ' A' ' 20' ' ' VAL . 75.5 m-85 -135.42 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' HIS . 22.7 p -94.22 154.2 17.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.19 -22.49 0.12 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' CYS . 45.5 t -89.36 -34.71 16.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.1 m170 -109.48 24.82 12.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -71.76 -31.02 66.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.498 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.6 m-85 -65.53 147.65 98.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.702 0.763 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.81 -44.21 2.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.49 -40.02 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 44' ' ' TYR . 90.9 t -54.24 -52.96 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.597 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.0 p-80 -99.57 34.74 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.74 63.93 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.83 0.348 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.1 t -51.46 127.4 19.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 19' ' ' THR . 3.5 m -75.54 8.55 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' CE1' ' A' ' 38' ' ' PHE . 43.0 t -116.79 -45.38 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -126.4 -8.14 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 53.53 55.04 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -95.44 39.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.45 54.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.607 HG21 HG22 ' A' ' 37' ' ' THR . 19.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -91.25 96.98 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -47.0 167.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.45 -40.11 67.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -48.16 -32.16 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.01 36.36 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -134.1 168.41 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.607 HG22 HG21 ' A' ' 25' ' ' VAL . 9.1 m -116.55 136.14 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 76.0 m-85 -136.19 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.5 p -93.37 156.92 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.73 -20.95 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -91.93 -30.36 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.4 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CD2' HG11 ' A' ' 47' ' ' VAL . 38.7 m170 -112.8 23.13 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -70.98 -26.07 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.627 ' HB2' HG23 ' A' ' 47' ' ' VAL . 95.4 m-85 -68.68 147.94 98.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -41.48 4.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.72 -37.18 78.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.627 HG23 ' HB2' ' A' ' 44' ' ' TYR . 63.9 t -57.55 -49.28 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.642 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 20.3 p-80 -102.43 31.35 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.41 67.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.539 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.868 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.8 t -53.73 126.58 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -75.64 8.75 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG23 ' CE1' ' A' ' 38' ' ' PHE . 52.6 t -116.86 -45.81 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -126.62 -7.43 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 53.51 55.01 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 7.8 ptmt -94.02 33.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.8 ptt180 33.43 45.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.521 HG21 HG22 ' A' ' 37' ' ' THR . 31.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -118.79 99.84 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -50.13 165.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -70.33 -44.05 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 p -44.49 -33.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 38.39 0.84 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -132.98 175.78 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 111.167 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.521 HG22 HG21 ' A' ' 25' ' ' VAL . 20.4 m -124.54 133.76 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.761 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.4 m-85 -135.88 175.75 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.431 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.7 p -93.44 172.3 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.02 -17.45 36.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -97.26 -24.11 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.466 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 41.1 m170 -118.18 24.02 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -72.3 -29.0 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.461 ' HB2' HG23 ' A' ' 47' ' ' VAL . 83.4 m-85 -68.19 146.74 98.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.7 -42.36 3.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 13.2 pt-20 -56.74 -38.33 72.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 44' ' ' TYR . 81.5 t -56.06 -56.66 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.761 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 24.2 p-80 -94.25 35.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.51 67.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.6 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.945 0.403 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 23.2 t -50.7 127.05 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 19' ' ' THR . 19.3 m -75.62 8.38 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG23 ' CD1' ' A' ' 38' ' ' PHE . 78.9 t -118.6 -42.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 27.1 p -129.83 -5.16 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 50.24 54.45 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 11.1 ptpt -94.58 38.33 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.6 52.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.422 HG21 HG22 ' A' ' 37' ' ' THR . 27.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.791 0.329 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -79.73 106.18 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HG ' ' CE1' ' A' ' 48' ' ' HIS . 3.3 t -56.33 176.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -79.52 -36.74 38.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -53.17 -29.93 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.35 34.37 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 p -132.77 164.99 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.422 HG22 HG21 ' A' ' 25' ' ' VAL . 16.0 m -112.65 133.33 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.533 ' CD1' HG23 ' A' ' 20' ' ' VAL . 56.5 m-85 -136.81 175.66 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' ARG . 29.4 p -97.09 166.47 11.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.46 -23.87 10.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.6 m -89.07 -26.35 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.486 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 49.0 m170 -118.96 24.37 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 6.2 ptm180 -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.6 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.1 m-85 -67.96 147.23 98.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.959 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.76 -42.7 3.17 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.646 2.231 . . . . 0.0 112.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.65 -40.24 87.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 44' ' ' TYR . 74.9 t -55.86 -52.17 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 14.2 p-80 -97.64 36.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.32 73.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 22' ' ' ARG . 31.0 t -48.83 127.22 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 19' ' ' THR . 4.3 m -74.77 7.5 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 39.6 t -114.3 -46.32 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 p -127.78 -7.68 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.5 mmt85 54.73 54.68 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -92.46 34.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.0 ptt85 32.53 50.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.438 HG21 HG22 ' A' ' 37' ' ' THR . 33.2 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -118.21 96.23 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.7 t -45.79 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 41.9 ptt85 -73.11 -39.81 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 6.0 p -48.04 -34.16 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 34.77 1.01 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 p -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.438 HG22 HG21 ' A' ' 25' ' ' VAL . 17.6 m -113.14 134.61 54.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.646 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 57.9 m-85 -138.22 176.9 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' HIS . 28.5 p -97.51 157.05 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.48 -21.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' CYS . 26.2 t -91.92 -30.67 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.848 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' CYS . 38.6 m170 -113.24 24.68 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -72.12 -29.24 63.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -67.42 147.58 98.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.69 0.757 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.588 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.8 -43.97 2.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -55.69 -40.56 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.496 HG23 ' HB2' ' A' ' 44' ' ' TYR . 94.9 t -53.79 -51.92 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.646 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 21.4 p-80 -100.24 33.96 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.01 63.95 0.29 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 27.8 mtm180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.928 0.394 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 20.2 t -45.05 146.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.3 m -92.46 1.64 57.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.516 HG23 ' HD1' ' A' ' 38' ' ' PHE . 53.8 t -110.43 -47.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -128.5 -0.32 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.503 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 47.45 55.02 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.54 ' HE2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.07 23.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 2.5 mpt_? 48.14 54.28 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.542 HG21 HG22 ' A' ' 37' ' ' THR . 20.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE2' ' CA ' ' A' ' 40' ' ' GLY . 65.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -69.82 119.62 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -75.91 172.14 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 12.9 ptt180 -70.38 -45.52 65.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 p -44.16 -32.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.83 31.93 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 p -129.89 172.0 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.542 HG22 HG21 ' A' ' 25' ' ' VAL . 10.7 m -118.67 130.14 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 61.9 m-85 -131.06 176.81 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 43' ' ' ARG . 13.0 p -97.18 173.03 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' CE2' ' A' ' 30' ' ' PHE . . . -55.8 -26.91 48.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.438 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.44 -29.73 21.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.578 ' HA ' HG11 ' A' ' 47' ' ' VAL . 16.7 m170 -113.45 22.15 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.3 ptt180 -71.44 -32.44 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.9 m-85 -66.15 149.71 97.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.684 0.755 . . . . 0.0 110.933 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.588 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.8 -43.46 2.62 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 11.4 pt-20 -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 42' ' ' HIS . 73.7 t -56.86 -49.67 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.8 p-80 -101.04 34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.93 72.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' CYS . 38.8 mtt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.4 t -35.35 128.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 19' ' ' THR . 5.2 m -72.3 4.01 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.413 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 79.6 t -111.88 -46.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.48 -10.17 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt85 55.36 55.02 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 10.5 ptmt -89.26 27.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.4 ptm180 43.9 33.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 HG22 ' A' ' 37' ' ' THR . 26.6 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 43' ' ' ARG . 1.4 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.7 ttt -47.36 99.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.9 t -57.84 172.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.83 -41.51 64.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.46 -31.22 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 39.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -138.3 158.57 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 111.148 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.57 HG22 HG21 ' A' ' 25' ' ' VAL . 2.5 m -108.53 127.97 54.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -129.35 174.57 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.0 p -96.47 157.01 16.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.0 -22.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 t -89.35 -33.84 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.413 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 45.6 m170 -111.02 24.32 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.583 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 17.8 ptt180 -75.03 -26.82 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.77 ' HB2' HG23 ' A' ' 47' ' ' VAL . 25.0 m-85 -65.11 145.69 99.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.706 0.765 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.2 Cg_endo -69.77 -31.02 21.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 47' ' ' VAL . 7.9 pm0 -70.4 -28.84 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.77 HG23 ' HB2' ' A' ' 44' ' ' TYR . 60.9 t -67.51 -51.58 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 6.3 p-80 -93.74 -14.09 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' PRO . . . 79.02 88.06 0.48 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 1.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 mtt180 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' ARG . 18.2 t -50.4 121.49 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -71.69 4.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 44.6 t -111.43 -48.29 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -123.42 -8.07 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt85 53.75 52.86 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -87.61 23.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 0.9 OUTLIER 38.98 48.24 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG21 HG22 ' A' ' 37' ' ' THR . 28.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.86 99.34 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.79 169.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 11.5 ptt180 -75.12 -38.06 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.8 p -50.63 -31.49 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -133.74 174.28 10.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.089 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.462 HG22 HG21 ' A' ' 25' ' ' VAL . 25.5 m -122.13 137.5 54.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.403 ' CE1' HG23 ' A' ' 20' ' ' VAL . 70.3 m-85 -141.23 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ARG . 30.9 p -96.55 169.1 10.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.21 -22.2 13.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.1 m -88.19 -29.73 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.5 m170 -118.86 24.83 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.6 ptt180 -73.3 -32.34 64.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.9 m-85 -63.33 148.81 92.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.595 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 -44.85 1.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.27 -40.63 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.546 HG23 ' HB2' ' A' ' 44' ' ' TYR . 97.6 t -54.48 -50.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 16.7 p-80 -101.19 35.56 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.0 67.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.531 ' HB2' HG13 ' A' ' 25' ' ' VAL . 35.0 t -57.27 124.77 20.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -73.55 8.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.554 HG23 ' CD1' ' A' ' 38' ' ' PHE . 66.8 t -118.81 -45.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -127.11 -5.26 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 49.35 54.88 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -92.04 32.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 43.17 37.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 37' ' ' THR . 34.4 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -118.73 103.5 9.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -53.22 168.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -73.5 -41.1 63.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -45.84 -36.97 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.68 39.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -136.58 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.18 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.584 HG22 HG21 ' A' ' 25' ' ' VAL . 7.5 m -119.15 135.71 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CD1' HG23 ' A' ' 20' ' ' VAL . 71.9 m-85 -137.32 174.59 10.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.456 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 24.6 p -90.79 175.74 6.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.88 -20.46 62.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -94.1 -25.62 17.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.573 ' HA ' HG11 ' A' ' 47' ' ' VAL . 51.4 m170 -116.33 23.55 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -72.34 -32.19 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.538 ' HB2' HG23 ' A' ' 47' ' ' VAL . 28.4 m-85 -66.92 150.05 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -42.96 2.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.33 -37.74 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.573 HG11 ' HA ' ' A' ' 42' ' ' HIS . 86.5 t -56.04 -52.14 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 25.5 p-80 -100.16 38.13 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.01 62.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -76.84 104.04 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -135.53 172.86 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.45 -46.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -172.69 136.25 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -110.89 109.09 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.31 -131.83 4.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -159.74 137.3 7.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 79.87 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 0.0 112.402 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 m -125.28 75.68 68.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.28 64.53 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.635 2.223 . . . . 0.0 112.389 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 82.7 0.73 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.745 2.296 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -62.12 -74.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 11.7 tpt180 -134.65 54.99 12.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.6 Cg_endo -69.82 125.12 11.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -134.24 133.01 40.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -130.55 132.21 45.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 27.5 t -54.25 126.31 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' HG22 ' A' ' 19' ' ' THR . 5.3 m -74.71 6.64 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 46.0 t -114.96 -44.67 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.38 -3.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 11.1 mmt180 49.32 55.01 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -85.28 15.46 4.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 3.1 mpt_? 58.99 37.83 24.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.806 HG21 HG22 ' A' ' 37' ' ' THR . 31.3 m -39.61 154.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.28 -70.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mp -42.3 -49.18 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 28' ' ' THR . 6.4 t -134.45 35.17 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.15 157.58 46.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -129.56 117.38 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ttt -88.52 98.61 11.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 t -48.49 165.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -70.44 -43.31 70.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 p -46.21 -34.0 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.88 39.08 0.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -136.31 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.164 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.806 HG22 HG21 ' A' ' 25' ' ' VAL . 8.2 m -118.9 132.97 56.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.514 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.7 m-85 -134.94 175.17 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 27.6 p -95.62 157.28 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.31 -21.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -90.46 -30.85 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.442 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.5 m170 -114.97 26.61 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.53 -27.08 61.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.572 ' HB2' HG23 ' A' ' 47' ' ' VAL . 88.1 m-85 -67.12 147.42 99.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.676 0.751 . . . . 0.0 110.93 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.585 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.8 -43.01 2.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.42 -38.8 78.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 44' ' ' TYR . 85.8 t -56.16 -48.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 18.7 p-80 -103.13 31.38 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 35.38 70.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t -49.72 118.92 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 52' ' ' PHE . 24.0 p -111.66 41.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' THR . 27.3 t80 -35.39 110.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -88.06 107.01 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -104.93 166.38 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 pttm 38.62 37.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -117.54 42.24 2.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.27 123.7 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.142 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -123.58 54.14 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.5 p -153.53 164.75 37.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.19 156.24 1.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.88 26.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.633 2.222 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 m -68.73 173.8 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.8 t -173.73 169.17 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.477 -179.98 . . . . . . . . 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 -0.349 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 p -98.97 152.89 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -39.99 -37.65 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.23 -173.16 15.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -41.4 120.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.2 p -140.93 153.75 45.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.62 99.45 1.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 27.9 mt-30 -123.58 99.13 39.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.938 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 8' ' ' GLN . 53.2 Cg_endo -69.73 163.29 38.81 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 80.4 p 44.35 52.08 9.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 10' ' ' SER . 53.5 Cg_endo -69.81 141.52 45.24 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 85.62 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -63.85 -75.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 47.9 ttm-85 -134.98 55.8 14.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.1 Cg_endo -69.77 114.6 3.76 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.88 119.78 23.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -115.29 133.63 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -54.51 128.04 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' HG22 ' A' ' 19' ' ' THR . 18.8 m -76.4 9.39 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 38' ' ' PHE . 72.3 t -119.3 -44.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -125.95 -8.01 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.414 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 52.38 54.94 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HG3' HG13 ' A' ' 25' ' ' VAL . 3.1 ptmt -92.99 37.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.5 mmt85 34.91 43.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.627 HG21 HG22 ' A' ' 37' ' ' THR . 21.6 m -44.41 115.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.83 -56.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.45 -40.54 42.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.913 0.387 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.2 p -113.63 46.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.61 117.44 4.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -107.8 108.39 19.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -82.52 100.06 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -52.18 172.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -73.79 -45.99 48.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -42.25 -35.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.07 32.52 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 p -130.16 175.21 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.627 HG22 HG21 ' A' ' 25' ' ' VAL . 17.4 m -124.34 137.73 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.641 ' CD1' HG23 ' A' ' 20' ' ' VAL . 73.4 m-85 -138.48 173.78 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.5 p -89.58 175.44 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.5 -18.75 56.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 t -95.4 -26.32 15.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.53 ' HA ' HG11 ' A' ' 47' ' ' VAL . 36.9 m170 -115.86 24.24 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -72.51 -31.55 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.401 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.7 m-85 -64.87 149.95 95.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.593 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.79 -43.27 2.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.33 -40.75 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.53 HG11 ' HA ' ' A' ' 42' ' ' HIS . 72.2 t -54.64 -50.82 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.607 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 p-80 -101.52 35.49 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.62 67.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.4 t -53.69 149.82 7.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 t -135.23 106.86 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -77.52 147.59 35.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -79.25 80.96 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -39.96 111.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.31 88.04 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 m -75.32 160.35 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.68 93.46 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.12 -116.6 1.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 t -123.52 132.19 53.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.91 135.39 12.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.449 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 139.46 40.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.74 2.293 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.7 t -87.26 91.75 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 m -63.95 -44.84 91.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.479 -179.984 . . . . . . . . 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 -0.317 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -119.16 95.41 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -93.02 162.31 14.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.77 136.51 12.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -68.33 120.75 14.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -121.01 86.64 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.45 112.92 0.54 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.428 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -107.83 77.94 0.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 125.93 12.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 0.0 112.39 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.3 t -113.82 106.81 53.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.701 0.762 . . . . 0.0 110.803 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.51 48.16 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.388 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 81.58 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.13 -75.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -135.01 56.79 17.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 99.73 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -83.51 137.47 33.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -131.42 128.18 38.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 19.6 t -52.08 124.59 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.495 ' O ' HG22 ' A' ' 19' ' ' THR . 8.2 m -73.62 5.79 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.601 HG23 ' CD1' ' A' ' 38' ' ' PHE . 72.5 t -114.96 -43.19 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -128.33 -6.25 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 35.9 mmm-85 50.69 54.79 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.67 38.07 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' GLY . 5.0 mpt_? 33.86 40.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG21 HG22 ' A' ' 37' ' ' THR . 25.6 m -35.45 -33.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 52.44 -158.39 3.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -47.57 -38.39 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -79.08 45.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.95 -178.66 15.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -125.06 120.2 30.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -93.26 99.34 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -50.83 171.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -73.42 -44.56 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 p -42.91 -33.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 30.74 1.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 p -130.22 177.89 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 25' ' ' VAL . 19.7 m -127.83 139.74 52.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 66.1 m-85 -138.12 178.0 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.7 p -94.4 175.03 6.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.35 -18.45 50.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -97.14 -25.19 15.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' PHE . 41.4 m170 -115.9 23.73 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -73.46 -27.38 61.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.612 ' HB2' HG23 ' A' ' 47' ' ' VAL . 89.4 m-85 -66.31 147.08 99.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.681 0.753 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.59 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.77 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.76 -40.06 82.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 44' ' ' TYR . 84.7 t -55.21 -52.06 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.75 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 14.5 p-80 -98.35 32.15 2.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.45 69.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.5 t -47.71 144.37 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -94.52 -42.79 8.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 52' ' ' PHE . 4.4 t80 -73.32 114.89 12.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -131.87 43.79 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -117.76 78.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 99.85 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.0 p -54.72 -32.71 60.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.14 112.61 5.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' SER . . . -122.11 -166.21 12.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' GLY . 78.1 p -36.49 142.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.95 0.405 . . . . 0.0 110.816 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.7 87.55 0.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 100.53 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.6 t -132.2 98.77 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.1 p -86.21 135.03 33.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.504 -179.982 . . . . . . . . 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 1.45 -0.373 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -79.92 -58.25 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.1 p -111.41 162.97 14.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.45 139.62 5.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -160.39 111.62 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 110.808 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -118.54 151.09 38.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . 64.89 83.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 45.4 mt-30 -36.87 137.41 0.56 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 104.15 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -165.46 133.48 2.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.59 13.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 106.71 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -90.38 39.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 13.4 mmt-85 61.45 54.97 3.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.715 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.5 Cg_endo -69.82 94.98 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -63.78 128.22 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -141.88 133.45 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 13.6 t -49.48 129.33 18.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 19' ' ' THR . 22.8 m -75.5 7.05 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 ' CE1' ' A' ' 38' ' ' PHE . 53.7 t -115.71 -49.82 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.99 -3.41 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 6.3 mmm180 49.01 55.03 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.997 ' HE3' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.7 23.56 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HD3' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 50.85 54.77 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.997 HG12 ' HE3' ' A' ' 23' ' ' LYS . 28.2 m -56.65 120.47 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -93.54 -150.09 26.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 tp -40.05 -55.55 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' GLY . 36.4 p -53.48 -33.91 56.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' GLY . . . -36.06 141.4 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -102.82 148.19 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -117.57 103.89 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 t -54.52 168.47 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -72.21 -43.82 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 p -45.68 -34.26 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.96 38.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 p -133.34 164.18 27.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.17 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.732 HG22 HG21 ' A' ' 25' ' ' VAL . 3.0 m -115.02 129.06 56.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 84.7 m-85 -129.68 -178.4 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' ARG . 31.0 p -106.82 164.94 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.29 -20.12 3.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -91.21 -25.07 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.545 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 31.9 m170 -125.76 26.0 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' CYS . 18.9 ptt180 -72.61 -27.33 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.528 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.7 m-85 -69.94 148.03 96.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.77 -43.88 2.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.65 -36.88 70.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.528 HG23 ' HB2' ' A' ' 44' ' ' TYR . 96.1 t -58.07 -52.64 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.634 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 22.8 p-80 -99.04 32.83 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.47 65.0 0.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.3 t -41.23 159.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' CYS . 46.2 p -34.55 -49.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -44.87 114.84 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.82 127.43 34.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 18.0 p90 -123.07 75.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -93.16 119.24 32.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.3 p -79.0 107.04 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.04 127.03 29.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.68 -130.52 1.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.8 p -110.08 106.39 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.79 171.88 55.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.42 8.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -92.75 85.16 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -92.21 174.8 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.475 -179.979 . . . . . . . . 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 1.45 -0.371 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -154.57 156.63 36.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.355 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -71.04 -46.23 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.54 156.52 24.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -60.52 128.2 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 m -99.38 132.81 44.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.52 120.56 3.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -119.91 131.07 24.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.85 8.54 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.6 p -64.79 143.42 98.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.697 0.76 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 53.9 Cg_endo -69.71 114.57 3.74 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 11' ' ' PRO . 53.3 Cg_endo -69.74 128.09 15.55 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.38 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.13 50.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.463 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 83.9 mtm-85 58.37 53.1 5.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.3 Cg_endo -69.73 96.36 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -71.04 106.31 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 24' ' ' ARG . 67.3 mtt-85 -122.93 133.93 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.4 t -43.77 126.92 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 19' ' ' THR . 34.7 m -74.15 5.64 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.623 HG23 ' CD1' ' A' ' 38' ' ' PHE . 75.2 t -115.02 -45.69 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -125.65 -7.27 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' CYS . 12.5 mmt180 49.6 54.98 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HD2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -89.63 25.27 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 26' ' ' GLY . 12.8 ptt180 44.28 47.93 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.886 HG12 ' HD2' ' A' ' 23' ' ' LYS . 32.5 m -38.33 -26.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 81.06 -161.72 43.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.2 mt -71.19 -35.65 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.6 p -84.86 44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.29 -173.06 33.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -113.39 103.14 10.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.57 96.2 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 t -45.79 170.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -74.48 -42.4 59.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.0 p -45.64 -31.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 35.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 p -134.49 166.8 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -114.69 133.28 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD1' HG23 ' A' ' 20' ' ' VAL . 65.2 m-85 -136.37 177.77 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' ARG . 25.5 p -102.0 163.97 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.53 -24.34 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -88.52 -23.2 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.467 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.8 m170 -124.33 23.83 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 ptm180 -73.01 -31.86 64.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.426 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -62.73 147.92 92.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.969 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.589 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.76 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.12 -37.98 75.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 42' ' ' HIS . 74.4 t -59.24 -54.53 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.0 p-80 -94.72 33.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.62 74.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 5.6 t -61.15 123.31 17.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.5 p 40.51 41.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -85.1 172.22 11.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 81.18 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -112.03 177.38 4.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -114.96 92.5 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.0 m -160.86 166.0 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.72 102.25 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.49 114.72 5.83 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -107.86 142.91 37.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.16 154.83 16.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 116.91 4.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.9 t -50.13 153.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.3 m -90.01 156.96 18.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.517 179.984 . . . . . . . . 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 1.452 -0.281 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -94.66 89.31 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -78.08 -48.71 15.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.61 81.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -123.74 135.31 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -156.79 140.41 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.38 122.76 5.89 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.24 150.21 91.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.962 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 93.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.7 p -68.03 152.51 96.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 110.815 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.4 32.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 119.54 6.47 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -82.9 38.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 26.9 ttm-85 74.21 52.45 0.25 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.8 Cg_endo -69.74 95.65 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -106.85 126.78 52.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -111.79 129.03 56.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.1 t -42.1 156.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.588 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 31.6 m -100.37 1.07 41.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.536 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 39.6 t -114.6 -44.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.79 4.72 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.482 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 40.02 54.69 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.4 ptpt -89.84 44.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.534 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.7 ttt180 27.36 52.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 25' ' ' VAL . 34.5 m -49.57 101.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.06 -92.93 2.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tp -44.35 -38.46 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.387 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 28' ' ' THR . 5.8 t -122.56 89.21 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.55 119.89 3.02 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -102.75 117.82 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttt -91.84 98.36 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.84 169.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -73.33 -43.4 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.08 -32.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.73 35.72 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 p -133.84 161.37 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.572 HG22 HG21 ' A' ' 25' ' ' VAL . 4.6 m -112.99 125.35 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 93.0 m-85 -121.55 173.88 7.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -92.24 175.58 6.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.53 -19.46 53.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 28.1 m170 -112.84 20.05 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.75 -33.41 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.572 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.8 m-85 -65.86 147.09 98.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.727 0.775 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -55.41 -39.39 70.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 44' ' ' TYR . 84.3 t -54.29 -52.88 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.65 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.9 p-80 -99.76 37.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.09 65.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.0 t -50.09 154.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 t -151.18 110.51 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -100.08 122.16 42.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.86 112.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -112.04 125.86 54.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -93.0 167.44 11.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 t -74.93 137.12 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.72 125.2 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' SER . . . -128.99 41.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' GLY . 9.2 t -35.49 125.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.869 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.66 -94.85 1.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 158.23 57.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -173.6 167.71 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 m -54.15 159.97 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.544 179.982 . . . . . . . . 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 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -119.25 96.57 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -112.76 132.05 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.24 -168.16 32.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 m -116.84 153.4 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -68.62 134.67 50.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.38 -109.5 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 39.2 mt-30 39.04 54.88 5.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 8' ' ' GLN . 53.9 Cg_endo -69.71 155.22 66.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.9 t -95.31 144.51 27.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.65 67.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.712 2.274 . . . . 0.0 112.312 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 93.51 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 5.0 mm-40 -75.64 79.68 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.696 ' HG2' HD12 ' A' ' 27' ' ' LEU . 10.5 tpp180 36.26 51.72 1.78 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.0 Cg_endo -69.77 91.3 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.64 2.227 . . . . 0.0 112.358 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -99.15 137.74 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 34.5 mtm-85 -139.37 126.52 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 11.9 t -41.1 156.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.5 m -101.27 0.24 36.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' HB ' ' ND1' ' A' ' 42' ' ' HIS . 70.5 t -112.58 -43.42 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 31.2 p -130.91 4.8 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 41.8 54.81 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' ARG . 2.9 ptmt -86.94 38.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.8 mtp85 33.34 45.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.686 HG21 HG22 ' A' ' 37' ' ' THR . 19.8 m -39.49 -34.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' THR . . . 69.86 161.94 3.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.696 HD12 ' HG2' ' A' ' 14' ' ' ARG . 6.1 tt -34.17 -36.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' GLY . 38.5 p -79.61 45.53 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.19 -170.35 15.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -110.49 103.69 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.1 ttt -86.08 104.91 16.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -56.18 177.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 25.0 ptt180 -78.82 -45.0 21.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 1.6 p -42.59 -35.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.72 35.04 0.87 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 p -133.8 165.52 24.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.686 HG22 HG21 ' A' ' 25' ' ' VAL . 6.9 m -111.3 128.58 55.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 66.9 m-85 -128.33 174.37 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 20.9 p -96.49 156.81 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.08 -22.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.4 t -88.96 -36.02 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.418 ' ND1' ' HB ' ' A' ' 20' ' ' VAL . 25.7 m170 -108.73 25.49 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -74.37 -30.08 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -68.01 148.84 98.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.778 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.581 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.8 -44.21 2.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -53.42 -41.49 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.1 -56.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 23.7 p-80 -95.16 30.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.05 73.57 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.448 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.491 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.4 t -54.4 115.27 2.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 t -66.66 -25.09 66.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -78.75 113.28 16.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -108.11 131.28 54.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -103.28 129.63 50.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -48.93 141.06 8.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 m -128.35 97.61 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.26 162.7 38.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.91 142.11 12.28 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -54.4 123.06 11.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.949 0.404 . . . . 0.0 110.823 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.44 -95.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 92.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.288 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t -101.35 138.21 38.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -93.78 156.16 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.078 -0.845 . . . . 0.0 112.486 -179.985 . . . . . . . . 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 -0.364 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p -48.05 -54.13 14.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -103.97 160.49 14.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.53 111.64 0.97 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -174.69 151.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' GLY . 8.3 t -87.5 84.66 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 38.16 -143.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -128.33 139.56 35.83 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.48 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.3 m -137.74 139.94 28.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 168.28 22.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.653 2.236 . . . . 0.0 112.355 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 85.39 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.27 . . . . 0.0 112.382 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.63 -76.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 51.0 ttp180 -134.82 54.53 11.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.2 Cg_endo -69.81 101.42 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -141.36 110.81 6.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -125.46 125.94 44.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 21.1 t -41.9 149.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.595 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 27.7 m -94.52 1.97 55.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.11 -47.43 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.03 -2.1 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.494 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 48.74 53.82 11.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -86.41 39.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 30.6 51.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.557 HG21 HG22 ' A' ' 37' ' ' THR . 35.4 m -53.36 121.41 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.94 -137.0 4.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.1 mt -49.21 -52.19 28.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 58.7 p -53.65 -33.88 56.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' CA ' ' HB ' ' A' ' 25' ' ' VAL . . . -39.47 132.07 2.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 28' ' ' THR . 24.8 m-85 -101.84 151.25 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.8 ttt -118.14 101.36 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -49.7 172.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 24.7 ptt180 -78.39 -36.42 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.3 p -51.91 -30.89 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 38.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 p -135.72 165.83 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.557 HG22 HG21 ' A' ' 25' ' ' VAL . 13.3 m -113.92 129.55 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 84.7 m-85 -130.17 174.0 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 42' ' ' HIS . 21.7 p -96.34 153.99 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.1 -24.68 0.1 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' CYS . 15.7 t -86.91 -35.63 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.565 ' HA ' HG11 ' A' ' 47' ' ' VAL . 18.9 m170 -109.48 23.37 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.67 -33.25 72.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.457 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -64.51 150.07 94.17 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.687 0.756 . . . . 0.0 110.872 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.578 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.77 -45.99 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -54.72 -41.61 70.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 42' ' ' HIS . 79.2 t -53.04 -44.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 26.8 p-80 -110.14 36.45 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.32 65.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.477 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 12.9 t -46.95 127.34 9.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 51' ' ' THR . 6.4 t -162.08 123.1 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -82.15 37.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER 30.36 39.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.9 p90 -73.88 140.41 45.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -145.68 130.36 17.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -107.4 86.93 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.27 175.51 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.39 -78.69 0.74 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.8 p -81.96 80.87 8.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.6 -102.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 144.1 52.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -127.1 127.68 45.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.3 t -79.88 45.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 63' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 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 -0.312 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -95.19 102.45 14.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.813 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.4 m -129.83 123.23 30.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.19 90.56 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -59.75 100.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -108.35 154.1 22.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.0 161.65 21.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -107.88 120.99 45.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.74 48.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -56.87 148.87 46.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 53.7 Cg_endo -69.75 116.91 4.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 11' ' ' PRO . 54.3 Cg_endo -69.79 99.76 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.37 37.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 21.4 mtm180 61.22 54.94 3.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.722 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.8 Cg_endo -69.75 100.73 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -89.36 122.73 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -120.1 127.24 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 14.0 t -39.85 157.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.582 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.9 m -101.79 1.43 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 53.5 t -114.3 -44.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -129.11 5.22 5.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 40.99 54.9 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 24' ' ' ARG . 12.6 ptpt -87.62 41.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.1 ttm-85 27.57 49.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.474 HG21 HG22 ' A' ' 37' ' ' THR . 5.3 m -36.35 -32.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 48.29 -152.06 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' GLY . 4.6 mm? -37.1 -53.21 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.916 0.389 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.8 p -76.99 63.42 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -120.76 168.26 14.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 29' ' ' GLY . 22.9 m-85 -133.88 102.18 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.3 ttt -78.87 99.44 6.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.5 t -51.14 178.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -78.83 -42.93 26.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.72 -31.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 40.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.33 166.1 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.163 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.474 HG22 HG21 ' A' ' 25' ' ' VAL . 9.8 m -111.66 130.24 55.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 87.6 m-85 -129.39 175.69 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 26.7 p -97.55 170.64 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.49 -20.83 32.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.3 t -93.56 -25.89 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.466 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 27.1 m170 -117.36 21.21 13.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.7 ptt180 -72.44 -31.67 65.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.8 m-85 -62.85 144.8 96.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.671 0.748 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.482 ' CB ' ' HB2' ' A' ' 50' ' ' CYS . 53.6 Cg_endo -69.77 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -37.33 83.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 44' ' ' TYR . 93.9 t -60.9 -57.92 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 10.7 p-80 -90.5 31.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 36.33 78.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.6 t -70.38 126.65 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.7 p -107.76 83.07 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -71.33 125.46 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -76.24 129.23 36.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -61.0 171.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -90.29 -61.73 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.2 m -69.86 120.03 14.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.43 78.62 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.85 -171.78 42.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.515 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 m 59.54 42.5 17.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.965 0.412 . . . . 0.0 110.887 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.57 177.7 32.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -43.77 164.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.4 p -102.97 -51.38 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.497 179.979 . . . . . . . . 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 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -136.09 166.32 23.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -105.81 160.52 15.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.53 82.43 0.81 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -58.35 -52.28 66.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -60.17 144.78 49.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.78 137.51 13.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -83.75 139.23 40.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.14 61.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.0 p -109.65 121.7 41.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.682 0.753 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 147.99 64.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.248 . . . . 0.0 112.3 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 85.89 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.64 2.227 . . . . 0.0 112.323 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -82.56 48.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER 61.42 51.97 2.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.6 Cg_endo -69.84 96.18 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' ARG . 49.4 m-20 -104.46 125.89 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -134.68 131.09 37.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 18.4 t -56.63 125.39 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 19' ' ' THR . 10.1 m -74.98 6.8 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.452 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 55.7 t -116.98 -43.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -129.65 -2.98 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 15.3 mmt180 45.79 51.82 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HD2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.03 18.1 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.6 mpt_? 55.92 44.61 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.76 HG21 HG22 ' A' ' 37' ' ' THR . 27.8 m -35.03 129.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.88 -113.46 3.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -59.1 -36.94 76.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.4 p -89.56 35.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.51 106.99 3.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -94.77 112.9 24.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.0 ttt -90.2 99.31 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 t -47.72 169.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 4.8 ptp180 -76.19 -36.13 58.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.5 p -52.39 -32.8 40.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.25 40.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 p -137.94 166.47 23.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 0.0 111.187 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.76 HG22 HG21 ' A' ' 25' ' ' VAL . 13.7 m -117.17 132.15 56.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 64.5 m-85 -133.06 169.82 16.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.85 173.82 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.55 -15.75 33.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 t -95.96 -25.86 15.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.452 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 42.0 m170 -119.4 23.74 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -71.75 -29.01 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.611 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.0 m-85 -68.24 146.27 97.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.7 -43.11 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 9.5 pt-20 -57.21 -37.21 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG23 ' HB2' ' A' ' 44' ' ' TYR . 87.3 t -56.86 -54.76 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.636 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.7 p-80 -97.2 36.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.14 66.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.442 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 6.9 t -42.58 157.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 51' ' ' THR . 4.3 t -131.94 104.28 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' ASP . 17.4 t80 -132.19 132.72 43.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' PHE . 9.4 t70 -37.09 115.21 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -72.12 159.87 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -77.55 91.26 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.4 p -108.02 138.93 43.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.46 -52.33 2.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 145.61 -164.43 28.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -115.67 142.22 47.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.834 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.72 -169.47 41.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 179.55 3.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.244 . . . . 0.0 112.306 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -89.34 113.29 24.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.7 p -135.93 112.26 9.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.505 179.99 . . . . . . . . 0 0 . 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 -0.291 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -108.61 130.83 55.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -161.23 139.09 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.87 103.05 0.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -53.87 132.19 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 m -73.2 129.32 37.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.41 -171.14 14.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -145.14 137.75 13.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.914 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 127.71 14.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.6 t -124.87 142.41 40.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 165.2 31.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.39 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.53 17.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -81.22 45.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 9.2 mmm180 58.38 52.06 4.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.581 0.705 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.2 Cg_endo -69.79 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.347 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -117.9 114.59 23.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -120.57 124.92 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 16.4 t -42.8 159.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 19' ' ' THR . 45.9 m -103.39 1.94 33.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.47 ' CG1' ' CE1' ' A' ' 42' ' ' HIS . 41.4 t -115.43 -44.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 30.3 p -128.68 2.96 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 42.74 54.95 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 3.6 ptmt -87.27 40.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LYS . 12.5 mtt180 34.42 44.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 25' ' ' VAL . 15.1 m -42.37 117.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.9 -76.7 0.78 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.17 -38.5 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.6 p -98.34 40.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.74 102.92 2.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -93.05 118.59 31.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.923 0.392 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 ttt -89.57 98.5 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 t -50.49 173.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 3.4 ptp180 -76.7 -40.11 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 p -48.98 -32.84 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.86 34.4 1.06 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -131.72 165.78 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.11 125.87 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 79.2 m-85 -122.48 177.87 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 9.1 p -94.17 177.73 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.44 -20.8 61.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -95.4 -27.71 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.47 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 33.4 m170 -112.07 22.27 14.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -70.26 -31.13 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' HB2' HG23 ' A' ' 47' ' ' VAL . 60.6 m-85 -67.38 147.69 98.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.896 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.581 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 -42.46 3.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.641 2.227 . . . . 0.0 112.375 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 8.1 pt-20 -56.45 -36.67 69.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 44' ' ' TYR . 90.2 t -58.46 -52.74 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.655 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 24.9 p-80 -99.21 33.67 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.33 64.27 0.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 9.1 t -42.11 120.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.0 p -68.37 79.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.02 142.23 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 54' ' ' PHE . 8.0 m-20 -112.89 39.41 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' A' ' 53' ' ' ASP . 17.3 m-85 28.22 51.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -91.84 173.49 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 m -96.65 173.16 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.03 -61.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.2 49.92 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 p -52.14 175.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.43 -167.26 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.75 5.81 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' PRO . 2.5 t -30.36 96.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 61' ' ' PRO . 72.9 m -72.96 124.46 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.475 -179.966 . . . . . . . . 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 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -159.12 123.51 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -160.7 145.06 13.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.78 176.95 28.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -157.31 107.75 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -93.83 133.75 36.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.92 -108.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.437 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 9.6 tp60 -139.28 106.8 7.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 8' ' ' GLN . 54.1 Cg_endo -69.75 147.97 64.08 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.46 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 9.3 t 60.74 53.61 3.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.669 0.747 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 10' ' ' SER . 54.6 Cg_endo -69.7 133.23 25.17 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.293 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 105.61 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ARG . 8.3 mm-40 -78.26 78.68 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 40.7 mmt180 37.43 54.94 3.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.6 Cg_endo -69.77 151.07 68.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' ARG . 2.0 m120 -57.92 145.59 35.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -135.66 128.0 30.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -49.87 129.3 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 19' ' ' THR . 14.9 m -76.8 9.36 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 38' ' ' PHE . 43.0 t -116.69 -49.39 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -123.2 -8.98 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 55.7 55.01 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -91.01 37.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.9 mpt_? 36.44 43.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 25' ' ' VAL . 32.9 m -47.4 111.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.74 -133.64 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.57 -51.9 63.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.903 0.382 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.3 p -50.42 -37.38 37.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.58 147.18 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -113.15 152.89 29.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.4 ttt -115.56 97.35 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.37 161.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.33 -43.99 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.0 p -45.99 -32.06 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.87 39.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -136.12 167.77 20.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.578 HG22 HG21 ' A' ' 25' ' ' VAL . 11.8 m -116.15 133.14 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD1' HG23 ' A' ' 20' ' ' VAL . 75.5 m-85 -135.42 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' HIS . 22.7 p -94.22 154.2 17.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.19 -22.49 0.12 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' CYS . 45.5 t -89.36 -34.71 16.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 30.1 m170 -109.48 24.82 12.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -71.76 -31.02 66.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.498 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.6 m-85 -65.53 147.65 98.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.702 0.763 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.81 -44.21 2.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.49 -40.02 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 44' ' ' TYR . 90.9 t -54.24 -52.96 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.597 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 25.0 p-80 -99.57 34.74 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 32.74 63.93 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t -39.44 138.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 51' ' ' THR . 6.7 t -136.27 105.2 5.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -107.57 108.78 20.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.75 111.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.57 97.83 11.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -39.12 145.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.0 t -163.59 147.46 10.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.09 -48.28 7.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.17 50.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.9 m -77.18 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 62' ' ' SER . . . 103.05 145.11 14.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 15.37 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.403 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 60' ' ' GLY . 1.8 m 63.52 43.3 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' SER . 50.1 p 35.38 42.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.45 -179.973 . . . . . . . . 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 -0.301 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 56.65 42.14 27.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -101.07 164.86 11.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.61 -139.72 7.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -73.66 84.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -58.46 -53.94 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.91 -111.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 18.3 mm-40 39.55 54.16 5.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 8' ' ' GLN . 54.3 Cg_endo -69.7 1.31 4.51 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 p -90.22 115.7 64.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.684 0.754 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 88.38 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' ARG . 13.1 pt20 -94.17 84.6 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 57.4 ttt180 36.52 52.6 2.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.698 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.2 Cg_endo -69.76 123.38 10.04 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -69.71 102.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -110.97 130.45 55.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.1 t -51.46 127.4 19.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 19' ' ' THR . 3.5 m -75.54 8.55 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' CE1' ' A' ' 38' ' ' PHE . 43.0 t -116.79 -45.38 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -126.4 -8.14 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 53.53 55.04 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -95.44 39.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.45 54.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.607 HG21 HG22 ' A' ' 37' ' ' THR . 19.4 m -51.69 163.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.23 -129.15 1.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -43.73 -43.78 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' GLY . 25.2 p -73.12 -38.99 66.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 28' ' ' THR . . . -35.79 145.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 28' ' ' THR . 31.1 m-85 -120.31 125.4 47.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -91.25 96.98 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -47.0 167.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.45 -40.11 67.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 p -48.16 -32.16 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.01 36.36 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -134.1 168.41 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.607 HG22 HG21 ' A' ' 25' ' ' VAL . 9.1 m -116.55 136.14 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 76.0 m-85 -136.19 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.5 p -93.37 156.92 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.73 -20.95 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -91.93 -30.36 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.4 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CD2' HG11 ' A' ' 47' ' ' VAL . 38.7 m170 -112.8 23.13 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -70.98 -26.07 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.627 ' HB2' HG23 ' A' ' 47' ' ' VAL . 95.4 m-85 -68.68 147.94 98.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -41.48 4.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.72 -37.18 78.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.627 HG23 ' HB2' ' A' ' 44' ' ' TYR . 63.9 t -57.55 -49.28 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.642 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 20.3 p-80 -102.43 31.35 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.41 67.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.539 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.53 136.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -83.95 40.02 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -79.45 115.54 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -85.68 105.58 16.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 56' ' ' SER . 6.4 p90 -57.43 177.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -83.4 127.83 34.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' ALA . 93.6 p -155.23 176.91 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' SER . . . -34.45 137.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.24 155.09 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -141.21 110.61 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.82 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' HA3' ' HD2' ' A' ' 61' ' ' PRO . . . -89.73 -132.04 4.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.415 ' HD2' ' HA3' ' A' ' 60' ' ' GLY . 54.0 Cg_endo -69.79 98.26 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 t -80.63 45.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.8 p -116.39 90.07 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.459 -179.991 . . . . . . . . 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 1.45 -0.374 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -114.79 92.26 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -99.37 142.43 30.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.54 167.89 24.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -156.42 162.4 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -172.08 151.32 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.08 141.56 5.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -53.58 130.16 54.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -36.46 10.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.617 2.212 . . . . 0.0 112.318 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.438 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 88.6 p 49.47 55.04 16.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.748 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 10' ' ' SER . 53.4 Cg_endo -69.75 117.42 5.07 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 95.4 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -95.65 81.34 3.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 4.2 tpm_? 40.4 54.02 6.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.5 Cg_endo -69.8 130.28 19.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -118.96 89.59 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 -102.15 143.2 32.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.8 t -53.73 126.58 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -75.64 8.75 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG23 ' CE1' ' A' ' 38' ' ' PHE . 52.6 t -116.86 -45.81 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -126.62 -7.43 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 53.51 55.01 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' ARG . 7.8 ptmt -94.02 33.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' GLY . 5.8 ptt180 33.43 45.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.521 HG21 HG22 ' A' ' 37' ' ' THR . 31.5 m -38.88 -27.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 72.02 -159.93 53.9 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.9 mt -57.14 -52.65 64.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' GLY . 24.8 p -48.84 -39.89 27.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 25' ' ' VAL . . . -37.02 136.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -72.02 148.56 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 ttt -118.79 99.84 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -50.13 165.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -70.33 -44.05 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.2 p -44.49 -33.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 38.39 0.84 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -132.98 175.78 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 111.167 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.521 HG22 HG21 ' A' ' 25' ' ' VAL . 20.4 m -124.54 133.76 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.761 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 71.4 m-85 -135.88 175.75 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.431 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 25.7 p -93.44 172.3 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.02 -17.45 36.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -97.26 -24.11 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.466 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 41.1 m170 -118.18 24.02 11.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -72.3 -29.0 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.461 ' HB2' HG23 ' A' ' 47' ' ' VAL . 83.4 m-85 -68.19 146.74 98.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.7 -42.36 3.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 13.2 pt-20 -56.74 -38.33 72.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 44' ' ' TYR . 81.5 t -56.06 -56.66 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.761 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 24.2 p-80 -94.25 35.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.51 67.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.6 t -49.18 110.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.945 0.403 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 49' ' ' GLY . 18.2 p -107.99 39.92 1.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -39.68 130.45 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -99.09 107.97 20.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 55' ' ' LYS . 3.1 p90 -75.81 159.63 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 2.9 mptt -54.84 162.01 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.6 p -86.66 127.63 34.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -160.83 114.61 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.38 90.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 t -102.75 125.41 49.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 62' ' ' SER . . . 156.97 -66.03 0.3 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.76 13.88 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.364 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 61' ' ' PRO . 80.0 p -30.12 111.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 p -127.14 125.14 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.449 -179.953 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -146.25 131.24 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.386 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -165.4 142.08 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.56 133.66 7.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -131.53 98.34 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -163.22 173.0 13.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.83 58.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -121.56 98.58 45.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 172.85 11.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.2 p -43.82 124.89 4.06 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.38 12.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.274 . . . . 0.0 112.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 87.04 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -65.98 -75.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 5.5 ptt180 -134.74 54.5 11.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.9 Cg_endo -69.8 140.36 42.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -84.33 91.23 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 -97.88 143.75 28.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.436 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 23.2 t -50.7 127.05 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 19' ' ' THR . 19.3 m -75.62 8.38 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG23 ' CD1' ' A' ' 38' ' ' PHE . 78.9 t -118.6 -42.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 27.1 p -129.83 -5.16 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 50.24 54.45 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 24' ' ' ARG . 11.1 ptpt -94.58 38.33 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 29.6 52.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG21 HG22 ' A' ' 37' ' ' THR . 27.8 m -39.03 -25.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 112.87 -159.51 13.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.61 -47.82 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 p -74.01 -70.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.92 -159.22 1.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.43 91.11 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -79.73 106.18 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 t -56.33 176.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -79.52 -36.74 38.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -53.17 -29.93 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.35 34.37 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 p -132.77 164.99 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.422 HG22 HG21 ' A' ' 25' ' ' VAL . 16.0 m -112.65 133.33 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.533 ' CD1' HG23 ' A' ' 20' ' ' VAL . 56.5 m-85 -136.81 175.66 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' ARG . 29.4 p -97.09 166.47 11.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.46 -23.87 10.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.6 m -89.07 -26.35 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.486 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 49.0 m170 -118.96 24.37 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' CYS . 6.2 ptm180 -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.6 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.1 m-85 -67.96 147.23 98.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.959 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.76 -42.7 3.17 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.646 2.231 . . . . 0.0 112.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.65 -40.24 87.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 44' ' ' TYR . 74.9 t -55.86 -52.17 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 14.2 p-80 -97.64 36.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 34.32 73.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.0 t -66.95 117.55 9.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.6 p -76.57 82.1 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.49 148.86 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.55 98.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.45 136.33 56.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -55.48 151.61 10.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.8 p -64.18 142.1 58.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.51 152.09 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -176.72 -54.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.546 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.0 p -81.24 119.77 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.946 0.403 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.39 -164.13 28.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -47.29 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 58.79 42.15 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.0 t -49.8 -51.2 41.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.494 -179.952 . . . . . . . . 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 -0.352 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -85.64 -44.07 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 44.79 42.16 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.6 129.14 3.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -40.67 -50.86 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m 62.27 41.74 10.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.61 89.63 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -96.61 149.6 36.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' SER . 54.0 Cg_endo -69.69 139.83 41.44 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' PRO . 71.9 m -35.1 136.25 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 53.9 Cg_endo -69.74 111.31 2.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 11' ' ' PRO . 53.7 Cg_endo -69.84 85.75 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.293 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -66.13 -75.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 13.7 tpt180 -135.04 54.59 11.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.67 0.748 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.1 Cg_endo -69.75 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -81.29 98.58 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -104.82 137.59 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 22' ' ' ARG . 31.0 t -48.83 127.22 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 19' ' ' THR . 4.3 m -74.77 7.5 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 39.6 t -114.3 -46.32 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 p -127.78 -7.68 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.5 mmt85 54.73 54.68 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -92.46 34.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.0 ptt85 32.53 50.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.438 HG21 HG22 ' A' ' 37' ' ' THR . 33.2 m -43.71 -33.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 47.21 -156.81 0.68 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -41.98 -38.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.953 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.9 p -84.04 44.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.53 170.39 20.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -113.8 148.37 36.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ttt -118.21 96.23 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.7 t -45.79 168.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 41.9 ptt85 -73.11 -39.81 65.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 6.0 p -48.04 -34.16 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 34.77 1.01 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 p -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.438 HG22 HG21 ' A' ' 25' ' ' VAL . 17.6 m -113.14 134.61 54.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.646 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 57.9 m-85 -138.22 176.9 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' HIS . 28.5 p -97.51 157.05 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.48 -21.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' CYS . 26.2 t -91.92 -30.67 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.848 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' CYS . 38.6 m170 -113.24 24.68 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -72.12 -29.24 63.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 47' ' ' VAL . 98.3 m-85 -67.42 147.58 98.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.69 0.757 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.588 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.8 -43.97 2.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -55.69 -40.56 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.496 HG23 ' HB2' ' A' ' 44' ' ' TYR . 94.9 t -53.79 -51.92 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.646 ' CE1' ' CE2' ' A' ' 38' ' ' PHE . 21.4 p-80 -100.24 33.96 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.01 63.95 0.29 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.1 t -39.95 144.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.9 p -121.61 99.85 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 43.5 t80 -89.9 160.63 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' N ' ' CG ' ' A' ' 52' ' ' PHE . 14.0 t70 -70.28 100.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -108.32 174.82 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -126.16 98.46 5.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -157.98 121.14 3.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.79 96.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.79 -122.21 1.97 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.5 p -88.69 112.07 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.8 126.76 10.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -177.62 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.319 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 m -112.69 124.6 52.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -63.62 162.96 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.452 -179.969 . . . . . . . . 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 -0.286 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -156.97 144.97 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.867 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -156.26 166.31 33.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.85 71.64 0.95 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 p -84.75 117.88 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -83.17 130.97 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.46 -154.79 8.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -130.52 77.84 75.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 139.17 39.44 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -66.04 122.13 79.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.693 0.759 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.94 43.81 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.64 2.227 . . . . 0.0 112.372 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 106.02 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mp0 -81.23 42.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 92.9 mtt180 54.82 53.18 9.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.3 Cg_endo -69.78 158.21 57.72 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -148.16 116.53 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 27.8 mtm180 -107.06 137.93 44.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB3' ' N ' ' A' ' 22' ' ' ARG . 20.2 t -45.05 146.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 4.3 m -92.46 1.64 57.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.516 HG23 ' HD1' ' A' ' 38' ' ' PHE . 53.8 t -110.43 -47.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -128.5 -0.32 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.503 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 47.45 55.02 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.54 ' HE2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -85.07 23.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 2.5 mpt_? 48.14 54.28 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.542 HG21 HG22 ' A' ' 37' ' ' THR . 20.8 m -50.19 -24.75 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' LEU . . . 92.6 161.41 36.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 26' ' ' GLY . 5.6 tt -34.06 -62.2 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.2 p -52.51 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.32 -157.4 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE2' ' CA ' ' A' ' 40' ' ' GLY . 65.9 m-85 -124.73 82.69 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttt -69.82 119.62 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -75.91 172.14 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 12.9 ptt180 -70.38 -45.52 65.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 p -44.16 -32.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.83 31.93 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 p -129.89 172.0 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.542 HG22 HG21 ' A' ' 25' ' ' VAL . 10.7 m -118.67 130.14 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 19' ' ' THR . 61.9 m-85 -131.06 176.81 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 43' ' ' ARG . 13.0 p -97.18 173.03 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' CE2' ' A' ' 30' ' ' PHE . . . -55.8 -26.91 48.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.438 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.44 -29.73 21.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.578 ' HA ' HG11 ' A' ' 47' ' ' VAL . 16.7 m170 -113.45 22.15 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.3 ptt180 -71.44 -32.44 68.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' HB2' HG23 ' A' ' 47' ' ' VAL . 97.9 m-85 -66.15 149.71 97.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.684 0.755 . . . . 0.0 110.933 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.588 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.8 -43.46 2.62 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 11.4 pt-20 -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 42' ' ' HIS . 73.7 t -56.86 -49.67 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 15.8 p-80 -101.04 34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.93 72.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.5 t -62.9 131.45 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p 41.66 40.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -91.38 141.21 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -142.01 120.57 12.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -45.05 118.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -76.47 -60.66 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -40.82 125.46 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -120.45 123.85 44.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.66 161.14 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.431 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.0 t -135.3 131.19 36.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.02 78.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.254 . . . . 0.0 112.331 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t 69.88 42.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.7 p -52.93 122.54 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.464 179.961 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -111.11 114.45 27.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.815 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 p -151.71 172.78 15.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.11 162.9 10.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -100.02 150.56 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -56.99 168.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.22 120.59 6.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 1.4 pm0 -39.23 103.5 0.28 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 8' ' ' GLN . 53.7 Cg_endo -69.82 165.42 31.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.629 2.22 . . . . 0.0 112.335 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -87.72 115.08 61.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 161.29 46.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.385 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 53.5 Cg_endo -69.76 105.99 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.377 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -73.58 75.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.479 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 11.1 tpt180 38.3 51.86 3.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 54.0 Cg_endo -69.75 101.12 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.381 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -82.16 86.2 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' CYS . 38.8 mtt85 -111.25 123.5 50.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.4 t -35.35 128.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 19' ' ' THR . 5.2 m -72.3 4.01 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.413 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 79.6 t -111.88 -46.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.48 -10.17 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt85 55.36 55.02 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 10.5 ptmt -89.26 27.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.4 ptm180 43.9 33.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 HG22 ' A' ' 37' ' ' THR . 26.6 m -34.46 121.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -33.04 148.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' GLY . 0.4 OUTLIER -34.01 -54.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.912 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' GLY . 40.9 p -54.12 -51.74 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' THR . . . 35.62 -154.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 43' ' ' ARG . 1.4 m-85 -124.49 56.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.7 ttt -47.36 99.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.9 t -57.84 172.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.83 -41.51 64.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 p -49.46 -31.22 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 39.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -138.3 158.57 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 111.148 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.57 HG22 HG21 ' A' ' 25' ' ' VAL . 2.5 m -108.53 127.97 54.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -129.35 174.57 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 26.0 p -96.47 157.01 16.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.0 -22.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 t -89.35 -33.84 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.413 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 45.6 m170 -111.02 24.32 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.583 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 17.8 ptt180 -75.03 -26.82 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.77 ' HB2' HG23 ' A' ' 47' ' ' VAL . 25.0 m-85 -65.11 145.69 99.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.706 0.765 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.2 Cg_endo -69.77 -31.02 21.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 47' ' ' VAL . 7.9 pm0 -70.4 -28.84 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.77 HG23 ' HB2' ' A' ' 44' ' ' TYR . 60.9 t -67.51 -51.58 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 6.3 p-80 -93.74 -14.09 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' PRO . . . 79.02 88.06 0.48 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 1.8 t -80.91 105.66 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.8 p -126.76 91.34 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -65.5 116.37 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -87.69 137.51 32.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -48.88 118.96 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -40.16 121.06 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.5 t -104.53 152.41 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.1 91.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.3 68.58 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.9 p -92.95 -31.19 15.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.949 0.404 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.12 -167.34 12.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -175.93 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.374 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.4 m -156.52 121.16 4.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.9 p -159.59 168.18 26.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.481 -179.957 . . . . . . . . 0 0 . 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 -0.35 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -135.9 148.25 48.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 110.908 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -164.32 144.79 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.33 79.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 m -129.42 142.42 50.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -80.24 -53.03 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.35 34.26 3.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.636 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 3.2 tt0 -66.52 -52.34 36.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.75 148.78 65.86 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.1 m -103.29 156.73 35.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.731 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 157.64 59.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 90.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.388 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -68.33 -75.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 69.2 mtt-85 -134.95 55.15 12.87 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.7 Cg_endo -69.77 154.95 67.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -103.76 129.54 51.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 mtt180 -139.3 134.22 32.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' ARG . 18.2 t -50.4 121.49 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -71.69 4.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 42' ' ' HIS . 44.6 t -111.43 -48.29 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -123.42 -8.07 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt85 53.75 52.86 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -87.61 23.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 0.9 OUTLIER 38.98 48.24 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG21 HG22 ' A' ' 37' ' ' THR . 28.7 m -39.21 -28.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 43.25 -131.04 5.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.49 -42.23 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -91.21 91.36 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.61 -165.2 16.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -148.45 118.73 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttt -89.86 99.34 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.79 169.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 11.5 ptt180 -75.12 -38.06 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 4.8 p -50.63 -31.49 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -133.74 174.28 10.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.089 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.462 HG22 HG21 ' A' ' 25' ' ' VAL . 25.5 m -122.13 137.5 54.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.403 ' CE1' HG23 ' A' ' 20' ' ' VAL . 70.3 m-85 -141.23 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ARG . 30.9 p -96.55 169.1 10.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.21 -22.2 13.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.1 m -88.19 -29.73 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 20' ' ' VAL . 28.5 m170 -118.86 24.83 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' CYS . 22.6 ptt180 -73.3 -32.34 64.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HB2' HG23 ' A' ' 47' ' ' VAL . 96.9 m-85 -63.33 148.81 92.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.595 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 -44.85 1.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.27 -40.63 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.546 HG23 ' HB2' ' A' ' 44' ' ' TYR . 97.6 t -54.48 -50.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 16.7 p-80 -101.19 35.56 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 33.0 67.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 7.4 t -49.14 158.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 51' ' ' THR . 5.2 t -136.94 106.53 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -109.29 113.22 25.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.95 126.1 11.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -98.45 136.87 37.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -67.28 176.91 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 p -117.06 115.62 25.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.02 139.68 26.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.74 150.5 29.62 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t 67.7 42.29 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.31 -177.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -119.24 176.97 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -78.72 99.91 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.48 179.947 . . . . . . . . 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 1.451 -0.333 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -106.26 93.8 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -146.41 160.95 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.18 -135.18 4.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -166.16 145.05 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.816 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -44.56 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.78 164.74 18.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -158.55 111.61 1.66 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -74.16 134.45 77.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.684 0.754 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 125.33 12.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.9 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.377 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -74.29 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 12.3 tpt180 -134.96 55.3 13.31 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 53.4 Cg_endo -69.77 138.28 37.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.21 98.66 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 -119.5 133.44 55.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.531 ' HB2' HG13 ' A' ' 25' ' ' VAL . 35.0 t -57.27 124.77 20.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -73.55 8.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.554 HG23 ' CD1' ' A' ' 38' ' ' PHE . 66.8 t -118.81 -45.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -127.11 -5.26 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 49.35 54.88 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -92.04 32.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 43.17 37.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 37' ' ' THR . 34.4 m -38.07 121.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.05 -91.18 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -41.57 -43.86 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -118.9 50.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.38 106.67 3.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -86.26 149.21 25.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.0 ttt -118.73 103.5 9.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -53.22 168.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -73.5 -41.1 63.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -45.84 -36.97 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.68 39.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -136.58 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.18 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.584 HG22 HG21 ' A' ' 25' ' ' VAL . 7.5 m -119.15 135.71 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CD1' HG23 ' A' ' 20' ' ' VAL . 71.9 m-85 -137.32 174.59 10.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.456 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 24.6 p -90.79 175.74 6.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.88 -20.46 62.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -94.1 -25.62 17.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.573 ' HA ' HG11 ' A' ' 47' ' ' VAL . 51.4 m170 -116.33 23.55 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -72.34 -32.19 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.538 ' HB2' HG23 ' A' ' 47' ' ' VAL . 28.4 m-85 -66.92 150.05 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -42.96 2.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.33 -37.74 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.573 HG11 ' HA ' ' A' ' 42' ' ' HIS . 86.5 t -56.04 -52.14 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 45' ' ' PRO . 25.5 p-80 -100.16 38.13 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 48' ' ' HIS . . . 31.01 62.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 45' ' ' PRO . 8.4 t -39.95 135.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.3 p -80.61 41.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -95.0 127.22 40.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -147.38 139.11 24.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -90.08 165.86 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -44.96 101.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -167.07 174.56 8.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.38 87.8 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.061 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.14 -133.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 m -96.85 115.51 27.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.01 -64.27 2.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.417 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 130.33 19.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -155.61 153.41 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.9 m -94.87 173.39 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.498 179.973 . . . . . . . . 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_