data_2ysb_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 2ysb _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.837 0.266 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.426 HD22 ' CE1' ' A' ' 40' ' ' HIS . 70.0 mt -45.93 144.48 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.78 168.09 22.57 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 109.47 2.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.625 2.217 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.13 -12.05 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.407 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -97.01 156.99 16.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -153.79 125.68 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 7.5 p -92.2 147.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.579 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -151.62 144.74 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -98.36 128.68 44.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.408 HG23 ' CE1' ' A' ' 27' ' ' TYR . 55.8 p -77.82 166.55 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.9 mmt -46.71 -51.14 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -51.27 -51.33 55.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.01 28.89 0.64 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -102.45 140.89 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HE2' ' CG2' ' A' ' 18' ' ' VAL . 23.7 tttt -96.16 117.18 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.3 p90 -125.88 143.75 50.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -100.76 133.18 45.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -106.35 136.41 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.532 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 17.7 t0 -106.97 108.91 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.67 -17.11 54.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' OD1' ' A' ' 30' ' ' ASP . 5.2 m-80 -77.8 -38.05 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.5 p -112.62 -12.43 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.1 m-20 66.65 49.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.05 153.97 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.493 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.3 p -107.62 155.23 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.6 m-70 -144.4 124.75 13.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.811 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -61.03 -40.88 95.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 p -103.0 155.1 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.8 t-80 -52.62 140.61 37.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.75 -19.81 35.69 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.214 0 CA-C-O 120.831 0.263 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 40' ' ' HIS . 57.3 mt -48.91 147.44 4.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.78 168.31 21.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.754 2.303 . . . . 0.0 112.313 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 108.31 2.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.402 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.5 -12.41 7.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -97.5 156.16 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.5 m -154.47 127.3 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.781 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.6 p -91.99 146.58 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.584 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.6 t70 -151.09 140.36 21.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -92.62 128.59 38.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 p -79.8 168.47 19.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt -48.07 -54.74 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -48.34 -39.17 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.67 26.59 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -101.48 140.7 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.92 119.1 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.0 p90 -126.57 145.3 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -101.18 129.78 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.3 mt -103.28 137.17 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 26.0 t0 -106.78 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.33 -16.94 47.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -76.38 -39.73 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -111.1 -17.29 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 74.4 47.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.48 152.38 44.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.477 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.4 p -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.8 m-70 -141.98 125.94 17.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -61.11 -40.66 94.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -100.02 155.37 17.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.7 t-80 -53.27 140.75 43.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.556 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.86 -21.0 33.64 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.797 0.249 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.411 HD21 ' NE2' ' A' ' 40' ' ' HIS . 57.5 mt -47.24 146.69 2.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.676 0.75 . . . . 0.0 110.832 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.73 168.07 22.58 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.423 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.33 -14.85 7.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.63 158.18 15.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -154.79 124.52 6.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.99 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 t70 -151.07 141.06 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -95.3 129.43 42.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.9 p -81.15 166.8 20.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 tpp -45.81 -57.71 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -45.92 -41.59 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.53 32.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -103.93 140.29 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -96.04 118.78 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 27.6 p90 -129.29 141.91 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.68 133.63 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.1 mt -104.59 137.76 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.453 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 18.0 t0 -106.97 107.21 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -79.93 -21.68 43.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.84 -35.48 57.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.2 p -109.31 -20.75 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' ASP . 12.4 m-80 74.78 45.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -141.36 154.8 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.509 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.4 p -106.32 155.45 19.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.1 m-70 -144.48 125.95 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -63.92 -38.83 92.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.5 m -98.76 163.24 12.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -62.94 140.57 97.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.552 0.691 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.72 -25.26 28.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.816 0.257 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 40' ' ' HIS . 75.9 mt -44.92 144.05 2.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.72 168.19 22.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 108.84 2.19 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.85 -14.59 7.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.8 155.63 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 p -152.75 124.31 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.98 148.38 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.4 t70 -151.94 145.19 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -98.28 127.73 44.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 p -79.21 167.66 20.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.2 tpp -47.33 -55.67 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -47.31 -43.06 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.44 31.83 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -105.22 141.31 36.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 18' ' ' VAL . 20.8 tttt -95.88 118.4 32.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 19.1 p90 -127.92 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -98.56 133.65 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.76 136.58 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.546 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.0 t0 -107.02 108.16 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.41 -19.15 46.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -75.03 -38.79 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.7 p -110.08 -16.77 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 72.49 47.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 p -141.82 154.09 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.526 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -106.86 156.95 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.6 m-70 -145.37 125.21 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -61.18 -39.73 91.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -100.97 161.79 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.566 ' CE1' HD22 ' A' ' 12' ' ' LEU . 8.4 t-80 -63.08 140.59 97.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.73 -26.02 28.14 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.873 0.281 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 40' ' ' HIS . 72.9 mt -45.1 144.82 1.92 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.78 168.69 20.86 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.393 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 110.68 2.6 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.43 -15.2 8.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.434 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.07 153.82 17.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 p -151.89 126.3 9.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 7.3 p -92.06 147.91 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.6 t70 -150.13 144.5 25.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.3 m-90 -98.6 125.39 43.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.406 HG22 ' CE1' ' A' ' 27' ' ' TYR . 55.0 p -77.45 166.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.5 mtp -46.73 -54.66 9.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -48.03 -41.96 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.26 1.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -105.53 140.43 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HE2' ' CG2' ' A' ' 18' ' ' VAL . 20.6 tttt -96.01 116.91 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 16.4 p90 -126.4 143.82 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -100.3 129.96 46.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.11 137.07 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.499 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.0 t0 -106.78 106.38 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -80.2 -20.22 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -74.6 -36.08 62.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.1 p -113.43 -14.39 12.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m-20 70.9 46.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.94 152.23 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.501 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.7 p -105.98 154.53 20.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.501 ' CD2' ' C ' ' A' ' 36' ' ' THR . 6.6 m-70 -142.9 122.97 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -58.91 -41.07 86.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -97.14 164.24 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.565 ' CE1' HD21 ' A' ' 12' ' ' LEU . 8.4 t-80 -65.68 140.55 97.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.543 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.0 Cg_endo -69.75 -27.08 26.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.811 0.254 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' CD2' ' NE2' ' A' ' 40' ' ' HIS . 73.1 mt -46.85 144.99 3.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.3 Cg_endo -69.72 168.88 20.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 108.81 2.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.45 7.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.5 m95 -93.34 154.88 17.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.4 p -151.61 123.67 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 28' ' ' TYR . 9.8 p -91.91 146.45 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 m-20 -152.45 143.85 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.6 m-90 -97.51 130.5 44.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -82.24 168.96 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.0 mtp -47.88 -54.68 11.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -48.39 -41.6 29.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.4 28.47 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -102.19 139.92 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -96.05 115.8 27.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 26.0 p90 -123.29 143.92 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CD1' HG22 ' A' ' 18' ' ' VAL . 8.7 m-85 -101.69 132.74 47.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 mt -104.18 136.39 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.551 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 11.8 t0 -107.02 107.96 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.36 -19.31 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -75.31 -37.99 60.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.8 p -110.54 -18.53 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' ASP . 18.1 m-20 73.18 47.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.01 154.5 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.511 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.9 p -104.7 154.6 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 36' ' ' THR . 6.6 m-70 -144.83 123.53 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -62.15 -39.85 94.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.9 m -100.26 158.27 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.5 t-80 -62.17 140.63 96.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.78 -23.69 30.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.385 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.825 0.26 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' CD2' ' NE2' ' A' ' 40' ' ' HIS . 65.6 mt -48.67 146.33 5.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.78 167.71 23.69 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 106.84 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.743 2.296 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.66 -15.28 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -94.52 159.38 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -154.02 124.92 7.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.553 HG22 ' CE1' ' A' ' 28' ' ' TYR . 9.7 p -92.12 146.04 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 t70 -150.69 139.88 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.447 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -97.28 127.61 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 p -78.5 168.42 19.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -52.34 19.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.38 -50.78 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.07 22.97 1.08 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -97.44 141.95 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 6.2 ttmt -98.08 115.5 28.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.8 p90 -122.43 144.02 49.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' A' ' 18' ' ' VAL . 9.8 m-85 -103.57 131.1 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.8 mt -102.6 136.78 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' ASN . 15.4 t0 -104.91 108.42 19.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.55 -22.46 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -77.91 -35.46 50.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -109.91 -16.07 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' ASP . 38.3 t30 67.03 47.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.18 154.48 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.46 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.6 p -104.58 154.12 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 36' ' ' THR . 10.9 m-70 -145.57 122.08 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -61.01 -39.25 89.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -98.63 158.77 15.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 6.9 t-80 -62.86 140.58 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.542 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.82 -16.19 37.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.632 2.221 . . . . 0.0 112.337 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.831 0.263 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.402 HD23 ' NE2' ' A' ' 40' ' ' HIS . 61.1 mt -47.14 145.52 3.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.76 169.14 19.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.637 2.225 . . . . 0.0 112.297 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 110.22 2.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.33 -16.49 8.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.3 m95 -92.78 155.04 17.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -152.4 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.8 p -91.88 147.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.526 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 10.4 t0 -150.99 146.63 26.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -100.05 125.72 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 HG23 ' CE1' ' A' ' 27' ' ' TYR . 32.3 p -79.0 166.99 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 tpt -41.67 -61.98 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -42.15 -49.43 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.17 23.95 1.35 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -95.24 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 21.6 tttt -97.34 117.07 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 14.7 p90 -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -99.73 130.6 45.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.42 137.69 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.528 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.1 t0 -106.93 107.36 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.17 -22.77 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.92 -34.5 62.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 p -111.61 -18.62 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ASP . 41.7 t30 73.85 43.6 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -142.08 151.4 42.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.515 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.9 p -104.07 154.17 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.515 ' CD2' ' C ' ' A' ' 36' ' ' THR . 3.2 m-70 -139.04 124.95 19.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -60.72 -39.34 88.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -100.06 165.02 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.8 t-80 -65.27 140.54 97.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.686 0.755 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.68 -28.13 26.01 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.763 2.308 . . . . 0.0 112.357 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.81 0.254 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' CD2' ' NE2' ' A' ' 40' ' ' HIS . 72.1 mt -44.94 144.13 2.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.0 Cg_endo -69.7 168.46 21.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 106.88 1.72 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.43 -16.05 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.575 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -93.75 158.19 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -154.07 126.33 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.505 HG22 ' CE1' ' A' ' 28' ' ' TYR . 9.0 p -91.95 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.3 m-20 -150.61 138.96 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.463 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 28.9 m-90 -96.05 128.5 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.5 p -81.52 168.85 17.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.5 tpp -46.87 -58.97 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -44.09 -41.72 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.0 28.47 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -101.4 139.13 37.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.3 ttmt -96.02 116.28 28.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.2 p90 -123.07 145.16 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.505 ' CE1' HG22 ' A' ' 18' ' ' VAL . 11.2 m-85 -103.97 126.93 51.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.5 mt -98.5 135.19 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.514 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.1 t0 -104.19 108.17 19.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -81.2 -20.38 41.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -74.9 -37.63 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.8 p -112.09 -15.08 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' ASP . 50.7 t-20 70.08 49.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.06 153.19 44.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.52 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.1 p -104.06 152.29 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.0 m-70 -145.71 122.21 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -96.22 165.69 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -70.37 140.63 87.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 54.0 Cg_endo -69.72 -23.76 30.61 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.819 0.258 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -41.0 147.47 0.42 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.75 167.54 24.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 106.12 1.61 Allowed 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.49 -15.47 6.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -93.96 159.73 15.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -153.48 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.7 p -91.95 147.05 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.9 t0 -151.1 139.74 20.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.459 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -96.04 127.7 42.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -81.87 168.07 18.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.8 mtm -45.58 -58.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -43.92 -42.13 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.05 26.32 2.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -99.75 139.65 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.2 ttmt -96.41 114.03 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 20.2 p90 -120.52 144.2 48.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -102.19 129.85 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.95 137.56 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.513 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 15.5 t0 -105.6 111.79 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.4 -20.3 37.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -74.67 -38.38 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -111.02 -18.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 74.07 47.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -141.7 150.59 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.51 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 6.8 p -103.61 154.94 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.241 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.51 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.2 m-70 -144.38 125.46 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -61.38 -41.09 96.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -97.17 157.85 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.3 t-80 -57.0 140.6 77.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.68 -17.93 37.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.429 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.763 0.235 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.431 ' CD2' ' NE2' ' A' ' 40' ' ' HIS . 57.1 mt -47.17 146.55 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.6 Cg_endo -69.81 167.96 23.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 106.82 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.76 -14.9 6.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -95.19 156.23 16.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -153.03 125.81 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.6 p -91.95 151.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.547 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.2 m-20 -156.14 142.03 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.526 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -94.27 130.79 40.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -80.64 165.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.418 ' HB2' ' NH2' ' A' ' 23' ' ' ARG . 22.1 mtp -43.77 -58.93 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' NH2' ' HB2' ' A' ' 22' ' ' MET . 0.0 OUTLIER -45.56 -49.14 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.31 26.16 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -100.08 139.27 35.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -95.9 119.79 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.7 p90 -126.15 147.38 49.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -103.9 130.16 51.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.5 mt -102.18 137.02 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 19.7 t0 -106.12 108.91 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -80.28 -21.14 43.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.8 -35.22 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -111.92 -15.19 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' ASP . 16.5 m-20 69.66 44.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -141.87 151.42 42.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -105.97 155.41 19.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -140.5 127.02 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -60.19 -41.6 93.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -102.25 156.45 17.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.5 t-80 -55.89 140.6 68.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.69 0.757 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 52.8 Cg_endo -69.74 -16.63 37.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.233 0.254 0 CA-C-O 120.779 0.241 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.411 HD23 ' NE2' ' A' ' 40' ' ' HIS . 30.7 mt -47.39 149.44 1.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.74 167.71 23.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.392 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.59 1.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.26 -10.2 7.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.559 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.9 m95 -100.08 158.23 15.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.802 0.334 . . . . 0.0 110.833 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -155.55 126.41 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.0 p -92.03 148.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 t70 -150.8 143.46 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -98.8 126.91 44.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -79.44 164.82 23.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -44.46 -51.91 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -50.56 -43.74 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.19 26.64 2.0 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -99.15 139.65 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 20.7 tttt -95.94 115.11 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.0 p90 -124.33 143.95 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -101.45 127.71 47.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mt -100.55 135.0 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 27.7 t0 -104.82 109.89 22.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.29 -21.14 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -78.22 -36.54 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -109.39 -16.39 14.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' ASP . 8.6 m-20 68.07 47.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -139.45 154.7 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.491 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.6 p -107.2 151.86 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.491 ' CD2' ' C ' ' A' ' 36' ' ' THR . 4.7 m-70 -143.91 127.32 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -66.16 -37.25 85.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -98.56 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -60.73 140.59 92.99 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.79 -23.75 30.32 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.874 0.281 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.407 HD22 ' NE2' ' A' ' 40' ' ' HIS . 53.7 mt -45.64 146.33 1.86 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.72 168.11 22.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.303 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.39 -12.03 7.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 41' ' ' PRO . 19.0 m95 -97.62 156.27 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.71 0.29 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -154.56 124.95 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.809 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 19' ' ' ASP . 9.8 p -91.92 147.31 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 34.7 m-20 -149.1 144.57 26.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.431 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.5 m-90 -97.8 123.6 41.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.407 HG21 ' CE1' ' A' ' 27' ' ' TYR . 31.4 p -74.05 168.37 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.225 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.4 tpp -47.35 -57.32 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -45.98 -44.3 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.69 31.24 1.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -101.31 139.84 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 31.2 tttt -95.92 116.21 28.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 20.1 p90 -128.9 150.39 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -104.26 133.29 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.428 HG12 ' CG2' ' A' ' 36' ' ' THR . 19.9 mt -105.52 137.67 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 34' ' ' ASN . 24.4 t0 -106.26 110.14 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -79.34 -22.29 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -78.31 -34.95 48.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 p -110.39 -14.92 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER 66.87 45.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -141.96 150.25 41.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.52 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -104.52 154.03 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 36' ' ' THR . 3.0 m-70 -139.35 125.39 19.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -60.66 -38.68 85.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -102.58 158.1 16.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -57.61 140.67 80.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.569 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.79 -25.66 28.23 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.746 0.227 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 40' ' ' HIS . 60.2 mt -49.05 146.24 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.77 168.76 20.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 107.9 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.34 -14.49 7.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.7 m95 -95.86 153.63 17.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 p -152.72 124.25 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -92.02 146.15 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 24.9 m-20 -149.55 140.89 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -93.93 128.0 40.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 p -78.49 166.44 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 tpp -48.02 -49.15 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -52.93 -42.85 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.49 30.15 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.21 139.6 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -95.86 111.84 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.8 p90 -124.23 148.09 47.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.93 138.41 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -108.65 135.11 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 12.9 t0 -106.84 107.46 18.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -79.93 -21.09 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.76 -34.84 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.5 p -110.51 -16.61 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.9 m-20 70.01 43.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.5 p -141.82 153.27 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.541 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 4.1 p -106.38 161.6 14.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.541 ' CD2' ' C ' ' A' ' 36' ' ' THR . 12.0 m-70 -148.39 126.13 11.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 m -101.64 160.48 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.54 ' NE2' ' CD2' ' A' ' 12' ' ' LEU . 8.4 t-80 -66.43 140.61 96.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.717 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 -25.23 28.87 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.794 0.248 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 40' ' ' HIS . 76.3 mt -42.52 144.3 0.99 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.82 169.04 19.91 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 103.8 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.236 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.77 1.03 8.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.598 ' CH2' ' OD2' ' A' ' 30' ' ' ASP . 18.7 m95 -111.04 151.36 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -149.32 126.31 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.563 HG22 ' CD1' ' A' ' 28' ' ' TYR . 9.9 p -91.91 145.35 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.591 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -151.13 140.04 20.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.456 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.9 m-90 -96.24 128.28 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -83.08 168.98 16.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.0 mmt -44.54 -61.36 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -42.7 -40.14 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.77 25.15 3.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -97.44 139.54 33.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.4 ttmt -96.0 113.93 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.9 p90 -119.33 143.73 47.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CD1' HG22 ' A' ' 18' ' ' VAL . 13.7 m-85 -103.62 126.39 50.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 mt -96.83 136.2 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.598 ' OD2' ' CH2' ' A' ' 16' ' ' TRP . 1.3 m-20 -105.22 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.32 -22.44 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.67 -34.17 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.4 p -114.43 -14.74 12.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' ASP . 39.4 t30 70.65 43.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p -141.48 149.79 41.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 p -99.41 163.94 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 61.5 m-70 -152.76 133.0 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -71.52 -30.47 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -102.46 164.04 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -73.85 140.62 77.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.2 Cg_endo -69.75 -28.41 25.32 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.722 2.281 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.831 0.263 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.52 HD23 ' CE1' ' A' ' 40' ' ' HIS . 66.1 mt -45.29 147.28 1.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.961 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.79 168.1 22.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 109.24 2.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.33 -11.74 8.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -97.97 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -156.61 128.02 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG2' ' CG ' ' A' ' 26' ' ' LYS . 10.0 p -92.2 149.44 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 m-20 -152.9 141.95 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.4 m-90 -96.04 127.96 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.2 p -78.93 164.59 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -57.03 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -46.56 -47.04 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.39 25.14 1.19 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.42 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -99.38 139.99 34.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -96.35 120.73 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.7 p90 -126.78 147.77 49.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -104.25 128.48 52.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.64 138.77 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.516 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 16.0 t0 -106.61 107.79 18.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -79.47 -15.96 56.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.95 -37.37 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.6 p -111.47 -17.58 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' ASP . 11.9 t-20 72.17 48.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.5 p -141.31 153.44 45.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.448 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.9 p -107.83 153.06 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.448 ' CD2' ' C ' ' A' ' 36' ' ' THR . 8.6 m-70 -143.58 125.92 15.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -62.45 -37.75 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -99.17 163.99 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.52 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.4 t-80 -65.72 140.68 97.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 52.7 Cg_endo -69.88 -26.4 27.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.228 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.842 0.267 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 40' ' ' HIS . 73.8 mt -44.57 144.67 1.7 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.5 Cg_endo -69.79 167.9 23.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 109.28 2.26 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 122.725 2.284 . . . . 0.0 112.403 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.62 -15.6 7.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -93.7 158.78 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -154.38 124.81 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 28' ' ' TYR . 10.0 p -92.1 147.04 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-20 -152.12 142.92 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.523 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.2 m-90 -95.49 127.81 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.444 HG21 ' CE1' ' A' ' 27' ' ' TYR . 70.1 p -79.04 167.78 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.0 mmm -46.46 -58.76 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -45.13 -42.17 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.29 27.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -101.13 140.93 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.97 119.5 34.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.0 p90 -126.19 145.03 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.459 ' CD1' HG22 ' A' ' 18' ' ' VAL . 8.2 m-85 -102.21 132.98 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 mt -104.79 137.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.8 t0 -107.04 107.07 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -78.32 -23.64 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.77 -35.66 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.0 p -110.45 -16.91 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 m-20 69.55 46.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.5 p -141.87 154.84 45.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.459 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.3 p -106.13 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' A' ' 36' ' ' THR . 13.8 m-70 -144.87 124.97 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -61.11 -39.77 91.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -99.93 163.01 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.553 ' CE1' HD21 ' A' ' 12' ' ' LEU . 8.6 t-80 -63.46 140.62 97.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.73 -24.12 30.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 120.781 0.242 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.95 147.49 0.42 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.74 167.51 24.21 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.38 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.55 -0.54 4.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.57 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -109.95 165.06 12.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -159.34 127.12 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 28' ' ' TYR . 9.6 p -92.79 146.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 t70 -152.15 139.53 19.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.453 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.9 m-90 -91.9 132.32 36.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CE1' ' A' ' 27' ' ' TYR . 46.9 p -81.29 165.72 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.0 mtp -47.84 -50.56 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -52.12 -40.85 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.97 23.67 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -99.96 140.49 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -95.95 119.59 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.6 p90 -126.05 147.03 49.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.533 ' CD1' HG22 ' A' ' 18' ' ' VAL . 18.0 m-85 -102.47 139.65 37.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mt -111.63 135.51 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' ASN . 48.6 t0 -107.0 103.17 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -76.05 -11.65 59.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.98 -31.54 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -121.84 -5.41 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m120 59.81 50.51 6.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -139.8 153.49 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.555 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 1.8 p -104.91 157.97 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 36' ' ' THR . 18.6 m-70 -150.17 125.9 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -65.71 -33.66 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -102.47 160.27 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 9.7 t-80 -60.89 140.33 93.62 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.566 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.73 -10.92 29.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.817 0.257 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.514 HD21 ' CE1' ' A' ' 40' ' ' HIS . 56.5 mt -45.88 145.03 2.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.75 168.99 19.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.63 2.22 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.97 -9.24 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -100.62 157.06 16.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -154.33 124.67 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.466 HG21 ' CE1' ' A' ' 28' ' ' TYR . 9.2 p -92.01 145.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -149.39 145.86 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 29.9 m-90 -99.51 126.32 45.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -78.16 168.01 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.455 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -44.41 -60.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -43.23 -47.93 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.27 29.06 1.04 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -100.06 141.86 32.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HE2' ' CG2' ' A' ' 18' ' ' VAL . 24.4 tttt -96.22 116.33 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 18.0 p90 -126.13 142.82 51.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.466 ' CE1' HG21 ' A' ' 18' ' ' VAL . 21.1 m-85 -101.14 131.39 47.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.1 mt -101.7 135.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.454 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 28.9 t0 -107.14 106.12 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -79.7 -17.61 53.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.21 -37.37 57.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.9 p -114.09 -10.79 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.9 m-20 67.52 46.59 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -139.57 153.53 47.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.525 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -107.06 155.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.525 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.8 m-70 -144.69 125.3 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -62.27 -39.39 92.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -99.61 160.1 14.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.9 t-80 -60.56 140.57 92.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.83 -24.86 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.222 0 CA-C-O 120.851 0.271 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 40' ' ' HIS . 49.0 mt -42.62 147.51 0.61 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.76 168.58 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -0.84 8.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 30' ' ' ASP . 18.9 m95 -109.26 152.72 24.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -152.39 126.25 9.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 7.9 p -91.9 151.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 17.1 t0 -155.64 145.68 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.494 ' CZ2' ' HE2' ' A' ' 26' ' ' LYS . 31.3 m-90 -100.42 129.12 46.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.3 p -83.22 168.71 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -44.11 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -44.44 -45.84 9.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.2 29.85 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -100.22 140.79 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HE2' ' CZ2' ' A' ' 20' ' ' TRP . 11.4 tttm -95.79 110.89 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 24.0 p90 -121.52 141.46 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.516 ' CD2' HD22 ' A' ' 12' ' ' LEU . 34.9 m-85 -98.38 137.73 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 mt -106.99 137.43 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -107.02 108.55 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -78.01 -22.34 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.33 -33.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -110.96 -7.69 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' ASP . 7.1 m-20 59.07 42.06 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -139.96 153.16 46.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 p -102.21 163.08 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.582 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 60.8 m-70 -152.43 129.09 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 27' ' ' TYR . 52.9 m95 -67.79 -30.39 69.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -101.2 166.56 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.547 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.6 t-80 -76.13 140.56 69.84 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.81 -27.59 26.04 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 31.5 p -86.18 137.4 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.859 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 11.7 t -38.22 -62.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.26 64.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.442 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p 43.98 41.54 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.976 0.417 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -71.03 -45.41 63.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.789 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.01 156.1 13.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' ASP . 2.9 mm-40 -119.98 20.62 12.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLU . 26.8 t70 36.83 38.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.36 157.24 0.93 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.684 0.754 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 83.72 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.292 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.426 HD22 ' CE1' ' A' ' 40' ' ' HIS . 70.0 mt -45.93 144.48 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.78 168.09 22.57 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 109.47 2.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.625 2.217 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.13 -12.05 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.407 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -97.01 156.99 16.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -153.79 125.68 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 7.5 p -92.2 147.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.579 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -151.62 144.74 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -98.36 128.68 44.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.408 HG23 ' CE1' ' A' ' 27' ' ' TYR . 55.8 p -77.82 166.55 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.9 mmt -46.71 -51.14 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -51.27 -51.33 55.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.01 28.89 0.64 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -102.45 140.89 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HE2' ' CG2' ' A' ' 18' ' ' VAL . 23.7 tttt -96.16 117.18 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.3 p90 -125.88 143.75 50.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -100.76 133.18 45.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -106.35 136.41 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.532 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 17.7 t0 -106.97 108.91 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.67 -17.11 54.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' OD1' ' A' ' 30' ' ' ASP . 5.2 m-80 -77.8 -38.05 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.5 p -112.62 -12.43 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.1 m-20 66.65 49.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.05 153.97 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.493 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.3 p -107.62 155.23 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.6 m-70 -144.4 124.75 13.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.811 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -61.03 -40.88 95.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 p -103.0 155.1 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.8 t-80 -52.62 140.61 37.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.75 -19.81 35.69 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -91.85 -28.51 17.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' CG ' ' HB3' ' A' ' 40' ' ' HIS . 8.9 mm-40 -60.4 -58.77 7.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 t -90.12 109.01 20.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 44.03 78.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.44 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -49.32 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.399 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m 46.9 42.85 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.816 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.6 t -96.27 -55.91 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.438 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' SER . 84.9 p -148.66 138.36 22.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 2' ' ' SER . 35.3 p -36.42 -54.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 135.26 -139.7 11.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLY . 39.1 m -36.76 101.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -135.58 170.09 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.68 71.29 0.13 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.556 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -92.24 100.85 13.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.334 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -99.25 46.06 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.402 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.8 mt -42.92 157.31 0.24 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 85.76 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.626 2.217 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 40' ' ' HIS . 57.3 mt -48.91 147.44 4.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.78 168.31 21.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.754 2.303 . . . . 0.0 112.313 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 108.31 2.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.402 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.5 -12.41 7.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -97.5 156.16 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.5 m -154.47 127.3 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.781 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.6 p -91.99 146.58 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.584 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.6 t70 -151.09 140.36 21.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -92.62 128.59 38.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 p -79.8 168.47 19.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt -48.07 -54.74 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -48.34 -39.17 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.67 26.59 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -101.48 140.7 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.92 119.1 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.0 p90 -126.57 145.3 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -101.18 129.78 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.3 mt -103.28 137.17 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 26.0 t0 -106.78 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.33 -16.94 47.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -76.38 -39.73 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -111.1 -17.29 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 74.4 47.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.48 152.38 44.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.477 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.4 p -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.8 m-70 -141.98 125.94 17.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -61.11 -40.66 94.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -100.02 155.37 17.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.7 t-80 -53.27 140.75 43.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.556 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.86 -21.0 33.64 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.3 mt -91.43 -25.87 19.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 40' ' ' HIS . 16.9 mm-40 -70.25 -60.46 2.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t -91.1 83.34 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.82 -158.3 9.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.56 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 98.48 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.731 2.287 . . . . 0.0 112.406 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.1 p -102.23 146.79 27.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.3 p -126.26 112.75 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.521 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -156.02 107.62 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.91 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -66.21 -62.22 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.09 80.99 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 p -84.17 -56.64 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -92.78 134.08 35.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.55 -54.24 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -88.98 93.99 9.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -76.12 48.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.7 mt -42.63 157.12 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 87.28 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.287 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD21 ' NE2' ' A' ' 40' ' ' HIS . 57.5 mt -47.24 146.69 2.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.676 0.75 . . . . 0.0 110.832 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.73 168.07 22.58 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.423 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.33 -14.85 7.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.63 158.18 15.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -154.79 124.52 6.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.99 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 t70 -151.07 141.06 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -95.3 129.43 42.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.9 p -81.15 166.8 20.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 tpp -45.81 -57.71 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -45.92 -41.59 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.53 32.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -103.93 140.29 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -96.04 118.78 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 27.6 p90 -129.29 141.91 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.68 133.63 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.1 mt -104.59 137.76 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.453 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 18.0 t0 -106.97 107.21 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -79.93 -21.68 43.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.84 -35.48 57.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.2 p -109.31 -20.75 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' ASP . 12.4 m-80 74.78 45.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -141.36 154.8 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.509 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.4 p -106.32 155.45 19.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.1 m-70 -144.48 125.95 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -63.92 -38.83 92.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.5 m -98.76 163.24 12.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -62.94 140.57 97.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.552 0.691 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.72 -25.26 28.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt -86.4 -32.67 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.4 93.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -139.34 120.22 14.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.31 -93.85 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 109.87 2.41 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -81.37 151.23 28.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.1 t -120.88 139.59 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.5 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -102.75 118.99 38.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -124.01 102.39 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.54 154.75 8.71 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.445 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.4 t -97.14 -58.46 2.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.898 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 43.2 m -38.13 117.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.8 72.45 1.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -85.75 24.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t70 39.02 34.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.4 mt -44.51 156.24 0.35 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.736 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 81.82 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 40' ' ' HIS . 75.9 mt -44.92 144.05 2.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.72 168.19 22.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 108.84 2.19 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.85 -14.59 7.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.8 155.63 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 p -152.75 124.31 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.98 148.38 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.4 t70 -151.94 145.19 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -98.28 127.73 44.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 p -79.21 167.66 20.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.2 tpp -47.33 -55.67 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -47.31 -43.06 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.44 31.83 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -105.22 141.31 36.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 18' ' ' VAL . 20.8 tttt -95.88 118.4 32.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 19.1 p90 -127.92 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -98.56 133.65 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.76 136.58 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.546 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.0 t0 -107.02 108.16 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.41 -19.15 46.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -75.03 -38.79 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.7 p -110.08 -16.77 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 72.49 47.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 p -141.82 154.09 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.526 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -106.86 156.95 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.6 m-70 -145.37 125.21 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -61.18 -39.73 91.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -100.97 161.79 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.566 ' CE1' HD22 ' A' ' 12' ' ' LEU . 8.4 t-80 -63.08 140.59 97.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.73 -26.02 28.14 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -86.97 -31.14 20.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.04 -59.11 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.1 p -66.57 121.98 16.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.58 145.77 4.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 1.98 3.99 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.5 p -74.34 161.0 30.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.806 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.9 t -61.33 105.52 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.528 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -56.56 113.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -76.54 165.48 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.792 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.74 -148.7 38.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -94.85 107.95 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -91.5 104.01 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.09 165.32 34.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.442 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' ASP . 4.7 mm-40 -126.67 21.47 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' GLU . 25.0 t70 36.83 39.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.2 mt -51.36 157.17 1.75 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.631 0.729 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 82.37 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 40' ' ' HIS . 72.9 mt -45.1 144.82 1.92 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.78 168.69 20.86 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.393 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 110.68 2.6 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.43 -15.2 8.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.434 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.07 153.82 17.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 p -151.89 126.3 9.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 7.3 p -92.06 147.91 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.6 t70 -150.13 144.5 25.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.3 m-90 -98.6 125.39 43.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.406 HG22 ' CE1' ' A' ' 27' ' ' TYR . 55.0 p -77.45 166.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.5 mtp -46.73 -54.66 9.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -48.03 -41.96 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.26 1.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -105.53 140.43 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HE2' ' CG2' ' A' ' 18' ' ' VAL . 20.6 tttt -96.01 116.91 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 16.4 p90 -126.4 143.82 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -100.3 129.96 46.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.11 137.07 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.499 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.0 t0 -106.78 106.38 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -80.2 -20.22 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -74.6 -36.08 62.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.1 p -113.43 -14.39 12.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m-20 70.9 46.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.94 152.23 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.501 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.7 p -105.98 154.53 20.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.501 ' CD2' ' C ' ' A' ' 36' ' ' THR . 6.6 m-70 -142.9 122.97 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -58.91 -41.07 86.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -97.14 164.24 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.565 ' CE1' HD21 ' A' ' 12' ' ' LEU . 8.4 t-80 -65.68 140.55 97.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.543 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.0 Cg_endo -69.75 -27.08 26.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt -86.03 -31.84 21.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -57.24 -57.0 14.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 p -141.49 172.34 12.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.04 151.92 8.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 102.15 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.398 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.3 t -100.22 -50.1 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -69.77 131.32 44.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -143.08 114.45 7.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -70.71 -54.28 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.18 53.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -152.17 121.87 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -46.34 -51.34 14.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.45 146.24 10.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' ASP . 5.1 mt-10 -85.51 23.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' GLU . 12.2 t0 37.2 38.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 mt -50.94 156.29 1.74 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 82.51 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' CD2' ' NE2' ' A' ' 40' ' ' HIS . 73.1 mt -46.85 144.99 3.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.3 Cg_endo -69.72 168.88 20.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 108.81 2.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.45 7.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.5 m95 -93.34 154.88 17.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.4 p -151.61 123.67 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 28' ' ' TYR . 9.8 p -91.91 146.45 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 m-20 -152.45 143.85 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.6 m-90 -97.51 130.5 44.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -82.24 168.96 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.0 mtp -47.88 -54.68 11.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -48.39 -41.6 29.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.4 28.47 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -102.19 139.92 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -96.05 115.8 27.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 26.0 p90 -123.29 143.92 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CD1' HG22 ' A' ' 18' ' ' VAL . 8.7 m-85 -101.69 132.74 47.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 mt -104.18 136.39 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.551 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 11.8 t0 -107.02 107.96 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.36 -19.31 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -75.31 -37.99 60.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.8 p -110.54 -18.53 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' ASP . 18.1 m-20 73.18 47.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.01 154.5 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.511 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.9 p -104.7 154.6 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 36' ' ' THR . 6.6 m-70 -144.83 123.53 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -62.15 -39.85 94.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.9 m -100.26 158.27 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.5 t-80 -62.17 140.63 96.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.78 -23.69 30.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.385 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.7 mt -85.58 -33.66 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.44 100.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 t -174.74 119.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.04 152.85 11.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -36.09 11.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.382 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -156.37 116.94 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -103.74 173.41 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -64.24 110.68 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m -73.12 131.96 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.36 -166.41 20.86 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.512 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 p -141.38 137.77 32.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 m -95.85 176.26 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.89 123.59 5.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.557 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -107.94 1.95 22.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 t0 39.6 32.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 mt -39.0 157.01 0.12 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 83.45 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.386 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' CD2' ' NE2' ' A' ' 40' ' ' HIS . 65.6 mt -48.67 146.33 5.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.78 167.71 23.69 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 106.84 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.743 2.296 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.66 -15.28 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -94.52 159.38 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -154.02 124.92 7.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.553 HG22 ' CE1' ' A' ' 28' ' ' TYR . 9.7 p -92.12 146.04 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 t70 -150.69 139.88 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.447 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -97.28 127.61 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 p -78.5 168.42 19.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -52.34 19.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.38 -50.78 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.07 22.97 1.08 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -97.44 141.95 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 6.2 ttmt -98.08 115.5 28.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.8 p90 -122.43 144.02 49.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' A' ' 18' ' ' VAL . 9.8 m-85 -103.57 131.1 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.8 mt -102.6 136.78 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' ASN . 15.4 t0 -104.91 108.42 19.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.55 -22.46 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -77.91 -35.46 50.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -109.91 -16.07 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' ASP . 38.3 t30 67.03 47.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.18 154.48 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.46 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.6 p -104.58 154.12 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 36' ' ' THR . 10.9 m-70 -145.57 122.08 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -61.01 -39.25 89.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -98.63 158.77 15.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 6.9 t-80 -62.86 140.58 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.542 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.82 -16.19 37.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.632 2.221 . . . . 0.0 112.337 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.4 mt -95.85 -25.66 15.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.64 -53.99 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -73.75 90.59 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.18 82.29 0.31 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 0.79 5.12 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.748 2.299 . . . . 0.0 112.291 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -91.38 -43.56 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 p -42.04 112.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -148.98 130.79 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -74.14 -48.87 26.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.53 80.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.554 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -48.11 108.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -168.36 142.07 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.22 86.01 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.447 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -85.22 94.78 8.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -77.88 46.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.402 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.3 mt -42.75 157.31 0.23 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.615 0.721 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 87.0 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.76 2.307 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD23 ' NE2' ' A' ' 40' ' ' HIS . 61.1 mt -47.14 145.52 3.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.76 169.14 19.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.637 2.225 . . . . 0.0 112.297 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 110.22 2.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.33 -16.49 8.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.3 m95 -92.78 155.04 17.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -152.4 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.8 p -91.88 147.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.526 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 10.4 t0 -150.99 146.63 26.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -100.05 125.72 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 HG23 ' CE1' ' A' ' 27' ' ' TYR . 32.3 p -79.0 166.99 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 tpt -41.67 -61.98 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -42.15 -49.43 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.17 23.95 1.35 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -95.24 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 21.6 tttt -97.34 117.07 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 14.7 p90 -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -99.73 130.6 45.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.42 137.69 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.528 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.1 t0 -106.93 107.36 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.17 -22.77 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.92 -34.5 62.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 p -111.61 -18.62 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ASP . 41.7 t30 73.85 43.6 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -142.08 151.4 42.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.515 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.9 p -104.07 154.17 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.515 ' CD2' ' C ' ' A' ' 36' ' ' THR . 3.2 m-70 -139.04 124.95 19.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -60.72 -39.34 88.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -100.06 165.02 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.8 t-80 -65.27 140.54 97.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.686 0.755 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.68 -28.13 26.01 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.763 2.308 . . . . 0.0 112.357 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.4 mt -84.7 -32.34 23.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -58.52 99.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -169.12 127.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.53 -95.04 0.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.444 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.79 65.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.5 m -109.87 -45.33 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -88.62 42.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -81.74 -57.84 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.887 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -99.95 104.53 16.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.63 -142.02 9.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m 53.37 43.48 31.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.905 0.383 . . . . 0.0 110.925 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -98.06 -34.3 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.92 105.86 2.99 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASP . 8.7 mt-10 -90.78 23.84 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' GLU . 6.0 t70 37.99 36.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.59 157.11 1.02 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 84.51 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.744 2.296 . . . . 0.0 112.328 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' CD2' ' NE2' ' A' ' 40' ' ' HIS . 72.1 mt -44.94 144.13 2.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.0 Cg_endo -69.7 168.46 21.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 106.88 1.72 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.43 -16.05 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.575 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -93.75 158.19 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -154.07 126.33 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.505 HG22 ' CE1' ' A' ' 28' ' ' TYR . 9.0 p -91.95 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.3 m-20 -150.61 138.96 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.463 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 28.9 m-90 -96.05 128.5 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.5 p -81.52 168.85 17.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.5 tpp -46.87 -58.97 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -44.09 -41.72 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.0 28.47 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -101.4 139.13 37.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.3 ttmt -96.02 116.28 28.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.2 p90 -123.07 145.16 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.505 ' CE1' HG22 ' A' ' 18' ' ' VAL . 11.2 m-85 -103.97 126.93 51.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.5 mt -98.5 135.19 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.514 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.1 t0 -104.19 108.17 19.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -81.2 -20.38 41.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -74.9 -37.63 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.8 p -112.09 -15.08 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' ASP . 50.7 t-20 70.08 49.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.06 153.19 44.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.52 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.1 p -104.06 152.29 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.0 m-70 -145.71 122.21 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -96.22 165.69 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -70.37 140.63 87.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 54.0 Cg_endo -69.72 -23.76 30.61 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -85.17 -33.26 22.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.58 -58.1 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -88.86 109.91 20.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.32 72.61 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.06 4.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.623 2.215 . . . . 0.0 112.32 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.7 m -73.88 113.08 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.4 t -80.34 -47.3 14.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m 51.65 42.08 29.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.943 0.401 . . . . 0.0 110.921 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t 64.35 42.32 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.927 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.64 -162.87 29.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -118.13 -53.77 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -46.4 121.94 3.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.35 -122.61 2.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.14 94.09 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -76.25 48.28 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.4 mt -41.35 157.4 0.2 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 85.84 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.623 2.216 . . . . 0.0 112.362 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -41.0 147.47 0.42 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.75 167.54 24.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 106.12 1.61 Allowed 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.49 -15.47 6.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -93.96 159.73 15.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -153.48 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.7 p -91.95 147.05 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.9 t0 -151.1 139.74 20.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.459 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -96.04 127.7 42.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -81.87 168.07 18.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.8 mtm -45.58 -58.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -43.92 -42.13 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.05 26.32 2.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -99.75 139.65 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.2 ttmt -96.41 114.03 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 20.2 p90 -120.52 144.2 48.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -102.19 129.85 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.95 137.56 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.513 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 15.5 t0 -105.6 111.79 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.4 -20.3 37.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -74.67 -38.38 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -111.02 -18.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 74.07 47.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -141.7 150.59 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.51 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 6.8 p -103.61 154.94 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.241 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.51 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.2 m-70 -144.38 125.46 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -61.38 -41.09 96.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -97.17 157.85 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.3 t-80 -57.0 140.6 77.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.68 -17.93 37.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.429 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -92.14 -27.32 17.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -68.25 -58.51 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 m -85.54 88.43 7.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.72 65.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 -177.33 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.248 . . . . 0.0 112.342 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -121.77 126.19 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -109.7 42.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 23.9 p -142.21 156.2 45.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.0 t -37.5 106.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.1 -172.71 44.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.6 p -104.25 168.48 9.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -117.74 -54.78 2.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.24 53.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.05 100.99 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -83.91 36.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.3 mt -45.63 157.37 0.38 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.614 0.721 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 82.15 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' CD2' ' NE2' ' A' ' 40' ' ' HIS . 57.1 mt -47.17 146.55 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.6 Cg_endo -69.81 167.96 23.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 106.82 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.76 -14.9 6.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -95.19 156.23 16.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -153.03 125.81 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.6 p -91.95 151.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.547 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.2 m-20 -156.14 142.03 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.526 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -94.27 130.79 40.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -80.64 165.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.418 ' HB2' ' NH2' ' A' ' 23' ' ' ARG . 22.1 mtp -43.77 -58.93 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' NH2' ' HB2' ' A' ' 22' ' ' MET . 0.0 OUTLIER -45.56 -49.14 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.31 26.16 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -100.08 139.27 35.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -95.9 119.79 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.7 p90 -126.15 147.38 49.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -103.9 130.16 51.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.5 mt -102.18 137.02 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 19.7 t0 -106.12 108.91 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -80.28 -21.14 43.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.8 -35.22 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -111.92 -15.19 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' ASP . 16.5 m-20 69.66 44.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -141.87 151.42 42.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -105.97 155.41 19.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -140.5 127.02 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -60.19 -41.6 93.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -102.25 156.45 17.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.5 t-80 -55.89 140.6 68.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.69 0.757 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 52.8 Cg_endo -69.74 -16.63 37.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 mt -94.48 -28.61 15.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -59.25 -56.66 19.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.8 t -161.54 158.26 26.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.94 146.46 4.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 2.73 3.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.1 p -90.69 169.86 10.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -133.7 120.68 20.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLY . 70.2 p 36.01 42.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.867 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -60.12 126.84 29.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.79 -57.73 0.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -163.83 117.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.924 0.392 . . . . 0.0 110.775 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 m -42.4 -44.35 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.95 136.04 3.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.551 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 9' ' ' ASP . 6.2 pt-20 -108.17 -0.3 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' GLU . 13.4 t70 34.44 43.24 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' ASP . 10.3 mt -37.68 153.58 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.72 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD23 ' NE2' ' A' ' 40' ' ' HIS . 30.7 mt -47.39 149.44 1.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.74 167.71 23.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.392 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.59 1.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.26 -10.2 7.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.559 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.9 m95 -100.08 158.23 15.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.802 0.334 . . . . 0.0 110.833 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -155.55 126.41 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.0 p -92.03 148.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 t70 -150.8 143.46 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -98.8 126.91 44.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -79.44 164.82 23.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -44.46 -51.91 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -50.56 -43.74 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.19 26.64 2.0 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -99.15 139.65 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 20.7 tttt -95.94 115.11 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.0 p90 -124.33 143.95 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -101.45 127.71 47.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mt -100.55 135.0 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 27.7 t0 -104.82 109.89 22.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.29 -21.14 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -78.22 -36.54 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -109.39 -16.39 14.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' ASP . 8.6 m-20 68.07 47.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -139.45 154.7 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.491 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.6 p -107.2 151.86 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.491 ' CD2' ' C ' ' A' ' 36' ' ' THR . 4.7 m-70 -143.91 127.32 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -66.16 -37.25 85.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -98.56 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -60.73 140.59 92.99 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.79 -23.75 30.32 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -88.36 -30.04 19.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -66.6 -45.48 79.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 p -62.59 122.0 14.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.19 160.35 27.24 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -23.6 30.6 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p 42.1 42.14 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.793 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.9 t -76.97 -59.28 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -73.72 164.57 26.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -44.26 114.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.05 -47.9 83.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -95.31 122.94 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.4 . . . . 0.0 110.886 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -152.54 135.03 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.63 159.04 10.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -78.22 96.61 5.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -78.55 45.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.3 mt -47.61 157.36 0.58 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.55 0.69 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 85.31 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.407 HD22 ' NE2' ' A' ' 40' ' ' HIS . 53.7 mt -45.64 146.33 1.86 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.72 168.11 22.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.303 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.39 -12.03 7.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 41' ' ' PRO . 19.0 m95 -97.62 156.27 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.71 0.29 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -154.56 124.95 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.809 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 19' ' ' ASP . 9.8 p -91.92 147.31 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 34.7 m-20 -149.1 144.57 26.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.431 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.5 m-90 -97.8 123.6 41.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.407 HG21 ' CE1' ' A' ' 27' ' ' TYR . 31.4 p -74.05 168.37 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.225 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.4 tpp -47.35 -57.32 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -45.98 -44.3 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.69 31.24 1.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -101.31 139.84 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 31.2 tttt -95.92 116.21 28.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 20.1 p90 -128.9 150.39 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -104.26 133.29 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.428 HG12 ' CG2' ' A' ' 36' ' ' THR . 19.9 mt -105.52 137.67 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 34' ' ' ASN . 24.4 t0 -106.26 110.14 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -79.34 -22.29 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -78.31 -34.95 48.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 p -110.39 -14.92 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER 66.87 45.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -141.96 150.25 41.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.52 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -104.52 154.03 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 36' ' ' THR . 3.0 m-70 -139.35 125.39 19.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -60.66 -38.68 85.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -102.58 158.1 16.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -57.61 140.67 80.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.569 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.79 -25.66 28.23 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.5 mt -85.63 -33.03 21.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.33 98.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -161.77 161.15 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.52 -170.12 40.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -4.99 15.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.643 2.228 . . . . 0.0 112.327 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 61.87 42.16 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 m -118.07 42.09 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -172.33 155.68 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m -50.65 140.05 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.89 165.26 12.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -91.13 177.69 6.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -115.46 127.04 55.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.64 -144.4 0.75 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 9' ' ' ASP . 1.7 pm0 -121.72 1.04 9.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.0 110.854 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' GLU . 42.3 t0 34.43 42.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' ASP . 13.5 mt -36.85 155.46 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 83.9 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 40' ' ' HIS . 60.2 mt -49.05 146.24 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.77 168.76 20.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 107.9 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.34 -14.49 7.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.7 m95 -95.86 153.63 17.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 p -152.72 124.25 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -92.02 146.15 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 24.9 m-20 -149.55 140.89 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -93.93 128.0 40.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 p -78.49 166.44 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 tpp -48.02 -49.15 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -52.93 -42.85 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.49 30.15 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.21 139.6 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -95.86 111.84 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.8 p90 -124.23 148.09 47.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.93 138.41 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -108.65 135.11 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 12.9 t0 -106.84 107.46 18.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -79.93 -21.09 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.76 -34.84 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.5 p -110.51 -16.61 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.9 m-20 70.01 43.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.5 p -141.82 153.27 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.541 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 4.1 p -106.38 161.6 14.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.541 ' CD2' ' C ' ' A' ' 36' ' ' THR . 12.0 m-70 -148.39 126.13 11.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 m -101.64 160.48 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.54 ' NE2' ' CD2' ' A' ' 12' ' ' LEU . 8.4 t-80 -66.43 140.61 96.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.717 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 -25.23 28.87 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt -84.68 -33.68 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.66 -42.37 83.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.9 p -57.69 143.37 41.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.01 -172.87 35.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 2.27 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 62.38 43.46 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -118.72 149.96 40.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.407 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -103.39 123.82 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 61.58 42.24 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.84 -148.89 20.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -171.72 159.17 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.823 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m -94.31 -44.27 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.44 130.35 1.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.422 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' ASP . 7.8 pt-20 -125.84 1.23 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' GLU . 39.6 t0 34.42 42.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' ASP . 14.0 mt -37.46 156.21 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.699 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 80.52 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 40' ' ' HIS . 76.3 mt -42.52 144.3 0.99 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.82 169.04 19.91 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 103.8 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.236 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.77 1.03 8.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.598 ' CH2' ' OD2' ' A' ' 30' ' ' ASP . 18.7 m95 -111.04 151.36 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -149.32 126.31 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.563 HG22 ' CD1' ' A' ' 28' ' ' TYR . 9.9 p -91.91 145.35 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.591 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -151.13 140.04 20.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.456 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.9 m-90 -96.24 128.28 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -83.08 168.98 16.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.0 mmt -44.54 -61.36 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -42.7 -40.14 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.77 25.15 3.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -97.44 139.54 33.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.4 ttmt -96.0 113.93 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.9 p90 -119.33 143.73 47.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CD1' HG22 ' A' ' 18' ' ' VAL . 13.7 m-85 -103.62 126.39 50.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 mt -96.83 136.2 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.598 ' OD2' ' CH2' ' A' ' 16' ' ' TRP . 1.3 m-20 -105.22 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.32 -22.44 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.67 -34.17 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.4 p -114.43 -14.74 12.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' ASP . 39.4 t30 70.65 43.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p -141.48 149.79 41.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 p -99.41 163.94 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 61.5 m-70 -152.76 133.0 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -71.52 -30.47 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -102.46 164.04 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -73.85 140.62 77.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.2 Cg_endo -69.75 -28.41 25.32 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.722 2.281 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.53 -29.38 24.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.69 -63.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 t -71.3 158.84 35.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.76 166.17 35.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.73 4.14 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.2 m -91.04 122.08 33.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.1 t -148.64 142.45 25.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.419 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -49.37 124.79 9.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 m -140.98 160.31 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.83 174.38 25.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.434 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -48.54 -61.4 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -73.86 162.41 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.2 -36.24 2.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.15 98.46 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -85.56 37.1 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 mt -42.5 156.61 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.651 0.738 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 85.58 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.52 HD23 ' CE1' ' A' ' 40' ' ' HIS . 66.1 mt -45.29 147.28 1.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.961 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.79 168.1 22.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 109.24 2.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.33 -11.74 8.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -97.97 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -156.61 128.02 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG2' ' CG ' ' A' ' 26' ' ' LYS . 10.0 p -92.2 149.44 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 m-20 -152.9 141.95 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.4 m-90 -96.04 127.96 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.2 p -78.93 164.59 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -57.03 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -46.56 -47.04 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.39 25.14 1.19 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.42 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -99.38 139.99 34.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -96.35 120.73 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.7 p90 -126.78 147.77 49.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -104.25 128.48 52.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.64 138.77 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.516 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 16.0 t0 -106.61 107.79 18.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -79.47 -15.96 56.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.95 -37.37 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.6 p -111.47 -17.58 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' ASP . 11.9 t-20 72.17 48.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.5 p -141.31 153.44 45.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.448 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.9 p -107.83 153.06 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.448 ' CD2' ' C ' ' A' ' 36' ' ' THR . 8.6 m-70 -143.58 125.92 15.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -62.45 -37.75 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -99.17 163.99 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.52 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.4 t-80 -65.72 140.68 97.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 52.7 Cg_endo -69.88 -26.4 27.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.228 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -85.63 -31.3 22.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.97 -58.62 7.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -129.65 124.84 34.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.008 0.432 . . . . 0.0 110.791 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.42 146.25 4.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 157.41 60.51 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.0 p -95.57 79.59 3.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -107.91 105.87 15.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -134.54 142.7 47.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -103.53 -51.87 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.19 84.57 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -41.9 139.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -116.45 -56.49 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.66 144.81 0.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -117.91 23.48 11.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 37.95 37.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 mt -46.1 157.21 0.42 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.607 0.717 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 82.74 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.702 2.268 . . . . 0.0 112.359 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 40' ' ' HIS . 73.8 mt -44.57 144.67 1.7 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.5 Cg_endo -69.79 167.9 23.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 109.28 2.26 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 122.725 2.284 . . . . 0.0 112.403 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.62 -15.6 7.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -93.7 158.78 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -154.38 124.81 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 28' ' ' TYR . 10.0 p -92.1 147.04 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-20 -152.12 142.92 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.523 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.2 m-90 -95.49 127.81 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.444 HG21 ' CE1' ' A' ' 27' ' ' TYR . 70.1 p -79.04 167.78 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.0 mmm -46.46 -58.76 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -45.13 -42.17 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.29 27.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -101.13 140.93 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.97 119.5 34.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.0 p90 -126.19 145.03 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.459 ' CD1' HG22 ' A' ' 18' ' ' VAL . 8.2 m-85 -102.21 132.98 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 mt -104.79 137.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.8 t0 -107.04 107.07 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -78.32 -23.64 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.77 -35.66 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.0 p -110.45 -16.91 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 m-20 69.55 46.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.5 p -141.87 154.84 45.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.459 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.3 p -106.13 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' A' ' 36' ' ' THR . 13.8 m-70 -144.87 124.97 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -61.11 -39.77 91.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -99.93 163.01 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.553 ' CE1' HD21 ' A' ' 12' ' ' LEU . 8.6 t-80 -63.46 140.62 97.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.73 -24.12 30.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.9 mt -85.18 -31.98 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.48 -44.44 74.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.0 p -56.02 -50.97 69.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.61 83.36 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 169.25 19.27 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.757 2.305 . . . . 0.0 112.374 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -49.88 127.58 16.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 t -70.56 -54.2 13.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 p -83.07 174.33 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -69.98 158.36 35.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.89 99.12 0.82 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -135.17 134.05 39.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t 65.94 41.64 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.79 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.14 116.58 0.61 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -129.81 18.35 5.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 t0 42.52 36.02 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.3 mt -45.66 156.38 0.43 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 84.96 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.41 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.95 147.49 0.42 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.74 167.51 24.21 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.38 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.55 -0.54 4.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.57 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -109.95 165.06 12.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -159.34 127.12 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 28' ' ' TYR . 9.6 p -92.79 146.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 t70 -152.15 139.53 19.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.453 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.9 m-90 -91.9 132.32 36.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CE1' ' A' ' 27' ' ' TYR . 46.9 p -81.29 165.72 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.0 mtp -47.84 -50.56 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -52.12 -40.85 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.97 23.67 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -99.96 140.49 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -95.95 119.59 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.6 p90 -126.05 147.03 49.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.533 ' CD1' HG22 ' A' ' 18' ' ' VAL . 18.0 m-85 -102.47 139.65 37.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mt -111.63 135.51 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' ASN . 48.6 t0 -107.0 103.17 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -76.05 -11.65 59.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.98 -31.54 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -121.84 -5.41 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m120 59.81 50.51 6.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -139.8 153.49 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.555 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 1.8 p -104.91 157.97 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 36' ' ' THR . 18.6 m-70 -150.17 125.9 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -65.71 -33.66 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -102.47 160.27 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 9.7 t-80 -60.89 140.33 93.62 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.566 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.73 -10.92 29.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 mt -102.8 -11.46 18.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -90.06 91.83 8.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 t -148.61 148.7 30.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.03 83.17 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -11.82 31.68 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -83.11 157.9 22.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 m -148.91 165.19 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -164.17 147.35 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -118.88 159.63 23.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.61 74.42 0.23 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.532 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 m -105.0 -57.4 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -150.3 112.68 4.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 9' ' ' ASP . . . -160.9 -42.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' ASP . 2.3 mm-40 39.87 27.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' GLY . 4.3 t70 36.29 40.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.533 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.9 mt -46.7 157.12 0.47 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.561 0.696 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 84.2 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.514 HD21 ' CE1' ' A' ' 40' ' ' HIS . 56.5 mt -45.88 145.03 2.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.75 168.99 19.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.63 2.22 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.97 -9.24 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -100.62 157.06 16.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -154.33 124.67 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 HG21 ' CE1' ' A' ' 28' ' ' TYR . 9.2 p -92.01 145.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -149.39 145.86 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 29.9 m-90 -99.51 126.32 45.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -78.16 168.01 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.455 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -44.41 -60.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -43.23 -47.93 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.27 29.06 1.04 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -100.06 141.86 32.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HE2' ' CG2' ' A' ' 18' ' ' VAL . 24.4 tttt -96.22 116.33 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 18.0 p90 -126.13 142.82 51.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.466 ' CE1' HG21 ' A' ' 18' ' ' VAL . 21.1 m-85 -101.14 131.39 47.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.1 mt -101.7 135.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.454 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 28.9 t0 -107.14 106.12 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -79.7 -17.61 53.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.21 -37.37 57.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.9 p -114.09 -10.79 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.9 m-20 67.52 46.59 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -139.57 153.53 47.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.525 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -107.06 155.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.525 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.8 m-70 -144.69 125.3 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -62.27 -39.39 92.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -99.61 160.1 14.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 8.9 t-80 -60.56 140.57 92.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.83 -24.86 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 mt -87.47 -32.05 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.49 -47.2 87.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.0 t -137.57 135.62 36.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.89 147.27 5.54 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -13.75 35.37 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -118.19 131.1 56.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -46.11 -47.84 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -114.4 -59.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -71.95 92.01 1.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.74 78.4 0.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 p -162.16 137.28 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -110.25 143.36 40.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.73 152.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -114.87 2.52 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 t70 39.33 33.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -39.0 154.45 0.15 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.516 0.674 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.63 80.19 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 40' ' ' HIS . 49.0 mt -42.62 147.51 0.61 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.76 168.58 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -0.84 8.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 30' ' ' ASP . 18.9 m95 -109.26 152.72 24.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -152.39 126.25 9.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 7.9 p -91.9 151.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 17.1 t0 -155.64 145.68 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.494 ' CZ2' ' HE2' ' A' ' 26' ' ' LYS . 31.3 m-90 -100.42 129.12 46.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.3 p -83.22 168.71 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -44.11 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -44.44 -45.84 9.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.2 29.85 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -100.22 140.79 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HE2' ' CZ2' ' A' ' 20' ' ' TRP . 11.4 tttm -95.79 110.89 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 24.0 p90 -121.52 141.46 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.516 ' CD2' HD22 ' A' ' 12' ' ' LEU . 34.9 m-85 -98.38 137.73 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 mt -106.99 137.43 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -107.02 108.55 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -78.01 -22.34 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.33 -33.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -110.96 -7.69 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' ASP . 7.1 m-20 59.07 42.06 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -139.96 153.16 46.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 p -102.21 163.08 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.582 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 60.8 m-70 -152.43 129.09 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 27' ' ' TYR . 52.9 m95 -67.79 -30.39 69.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -101.2 166.56 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.547 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.6 t-80 -76.13 140.56 69.84 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.81 -27.59 26.04 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -85.65 -29.26 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.43 -58.86 6.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.2 t -129.91 113.48 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.94 -89.87 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.39 34.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.393 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 t -71.7 132.62 44.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.791 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -112.55 -53.56 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.409 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.837 0.266 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 40' ' ' HIS . 70.0 mt -45.93 144.48 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.78 168.09 22.57 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 109.47 2.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.625 2.217 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.13 -12.05 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.407 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -97.01 156.99 16.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -153.79 125.68 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.897 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.5 p -92.2 147.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.579 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -151.62 144.74 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -98.36 128.68 44.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.8 p -77.82 166.55 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.9 mmt -46.71 -51.14 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -51.27 -51.33 55.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.01 28.89 0.64 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -102.45 140.89 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.897 ' HE2' HG21 ' A' ' 18' ' ' VAL . 23.7 tttt -96.16 117.18 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.3 p90 -125.88 143.75 50.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -100.76 133.18 45.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -106.35 136.41 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.532 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 17.7 t0 -106.97 108.91 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.67 -17.11 54.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' OD1' ' A' ' 30' ' ' ASP . 5.2 m-80 -77.8 -38.05 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.5 p -112.62 -12.43 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.1 m-20 66.65 49.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.05 153.97 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.3 p -107.62 155.23 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -144.4 124.75 13.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.811 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -61.03 -40.88 95.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 p -103.0 155.1 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.8 t-80 -52.62 140.61 37.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.575 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.75 -19.81 35.69 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.214 0 CA-C-O 120.831 0.263 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.3 mt -48.91 147.44 4.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.78 168.31 21.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.754 2.303 . . . . 0.0 112.313 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 108.31 2.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.402 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.5 -12.41 7.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -97.5 156.16 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.5 m -154.47 127.3 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.781 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.6 p -91.99 146.58 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.584 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.6 t70 -151.09 140.36 21.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -92.62 128.59 38.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 p -79.8 168.47 19.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt -48.07 -54.74 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -48.34 -39.17 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.67 26.59 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -101.48 140.7 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.92 119.1 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.0 p90 -126.57 145.3 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -101.18 129.78 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' CE2' ' A' ' 27' ' ' TYR . 16.3 mt -103.28 137.17 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 26.0 t0 -106.78 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.33 -16.94 47.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -76.38 -39.73 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -111.1 -17.29 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 74.4 47.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.48 152.38 44.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 p -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -141.98 125.94 17.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -61.11 -40.66 94.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -100.02 155.37 17.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.7 t-80 -53.27 140.75 43.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.577 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.86 -21.0 33.64 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.797 0.249 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -47.24 146.69 2.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.676 0.75 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.73 168.07 22.58 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.423 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.33 -14.85 7.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.63 158.18 15.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -154.79 124.52 6.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.872 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.3 p -91.99 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 t70 -151.07 141.06 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -95.3 129.43 42.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.9 p -81.15 166.8 20.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 tpp -45.81 -57.71 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -45.92 -41.59 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.53 32.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -103.93 140.29 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.872 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.3 tttt -96.04 118.78 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 27.6 p90 -129.29 141.91 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.68 133.63 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.1 mt -104.59 137.76 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.453 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 18.0 t0 -106.97 107.21 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -79.93 -21.68 43.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.84 -35.48 57.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.2 p -109.31 -20.75 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' ASP . 12.4 m-80 74.78 45.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -141.36 154.8 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 p -106.32 155.45 19.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -144.48 125.95 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -63.92 -38.83 92.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.5 m -98.76 163.24 12.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -62.94 140.57 97.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.552 0.691 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.72 -25.26 28.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.816 0.257 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 40' ' ' HIS . 75.9 mt -44.92 144.05 2.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.72 168.19 22.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 108.84 2.19 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.85 -14.59 7.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.591 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.8 155.63 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 p -152.75 124.31 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.933 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.98 148.38 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.4 t70 -151.94 145.19 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -98.28 127.73 44.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 p -79.21 167.66 20.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.2 tpp -47.33 -55.67 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -47.31 -43.06 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.44 31.83 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -105.22 141.31 36.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.933 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.8 tttt -95.88 118.4 32.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 19.1 p90 -127.92 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -98.56 133.65 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.76 136.58 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.546 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.0 t0 -107.02 108.16 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.41 -19.15 46.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -75.03 -38.79 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.7 p -110.08 -16.77 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 72.49 47.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 p -141.82 154.09 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 p -106.86 156.95 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -145.37 125.21 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -61.18 -39.73 91.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -100.97 161.79 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.575 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.4 t-80 -63.08 140.59 97.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.587 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.73 -26.02 28.14 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.873 0.281 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.503 HD23 ' CE1' ' A' ' 40' ' ' HIS . 72.9 mt -45.1 144.82 1.92 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.78 168.69 20.86 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.393 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 110.68 2.6 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.43 -15.2 8.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.434 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.07 153.82 17.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 p -151.89 126.3 9.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.95 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.3 p -92.06 147.91 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.6 t70 -150.13 144.5 25.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.3 m-90 -98.6 125.39 43.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.0 p -77.45 166.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.5 mtp -46.73 -54.66 9.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -48.03 -41.96 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.26 1.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -105.53 140.43 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.95 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.6 tttt -96.01 116.91 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 16.4 p90 -126.4 143.82 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -100.3 129.96 46.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.11 137.07 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.499 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.0 t0 -106.78 106.38 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -80.2 -20.22 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -74.6 -36.08 62.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.1 p -113.43 -14.39 12.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m-20 70.9 46.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.94 152.23 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 p -105.98 154.53 20.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -142.9 122.97 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -58.91 -41.07 86.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -97.14 164.24 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.4 t-80 -65.68 140.55 97.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.0 Cg_endo -69.75 -27.08 26.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.811 0.254 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 40' ' ' HIS . 73.1 mt -46.85 144.99 3.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.3 Cg_endo -69.72 168.88 20.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 108.81 2.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.45 7.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.593 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.5 m95 -93.34 154.88 17.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.4 p -151.61 123.67 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.8 p -91.91 146.45 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 m-20 -152.45 143.85 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.6 m-90 -97.51 130.5 44.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -82.24 168.96 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.0 mtp -47.88 -54.68 11.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -48.39 -41.6 29.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.4 28.47 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -102.19 139.92 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.486 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -96.05 115.8 27.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 26.0 p90 -123.29 143.92 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -101.69 132.74 47.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 mt -104.18 136.39 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.551 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 11.8 t0 -107.02 107.96 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.36 -19.31 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -75.31 -37.99 60.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.8 p -110.54 -18.53 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 73.18 47.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.01 154.5 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.511 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.9 p -104.7 154.6 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 36' ' ' THR . 6.6 m-70 -144.83 123.53 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -62.15 -39.85 94.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.9 m -100.26 158.27 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.5 t-80 -62.17 140.63 96.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.78 -23.69 30.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.385 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.825 0.26 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD23 ' CE1' ' A' ' 40' ' ' HIS . 65.6 mt -48.67 146.33 5.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.78 167.71 23.69 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 106.84 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.743 2.296 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.66 -15.28 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -94.52 159.38 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -154.02 124.92 7.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.12 146.04 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 t70 -150.69 139.88 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.445 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -97.28 127.61 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 p -78.5 168.42 19.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -52.34 19.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.38 -50.78 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.07 22.97 1.08 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -97.44 141.95 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 6.2 ttmt -98.08 115.5 28.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.8 p90 -122.43 144.02 49.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -103.57 131.1 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.8 mt -102.6 136.78 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.483 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 15.4 t0 -104.91 108.42 19.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.55 -22.46 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -77.91 -35.46 50.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -109.91 -16.07 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' ASP . 38.3 t30 67.03 47.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.18 154.48 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.46 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.6 p -104.58 154.12 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 36' ' ' THR . 10.9 m-70 -145.57 122.08 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -61.01 -39.25 89.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -98.63 158.77 15.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 6.9 t-80 -62.86 140.58 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.82 -16.19 37.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.632 2.221 . . . . 0.0 112.337 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.831 0.263 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 mt -47.14 145.52 3.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.76 169.14 19.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.637 2.225 . . . . 0.0 112.297 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 110.22 2.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.33 -16.49 8.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.3 m95 -92.78 155.04 17.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -152.4 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.852 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.88 147.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.526 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 10.4 t0 -150.99 146.63 26.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -100.05 125.72 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.3 p -79.0 166.99 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 tpt -41.67 -61.98 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -42.15 -49.43 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.17 23.95 1.35 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -95.24 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.852 ' HE2' HG21 ' A' ' 18' ' ' VAL . 21.6 tttt -97.34 117.07 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 14.7 p90 -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -99.73 130.6 45.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.42 137.69 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.528 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.1 t0 -106.93 107.36 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.17 -22.77 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.92 -34.5 62.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 p -111.61 -18.62 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ASP . 41.7 t30 73.85 43.6 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -142.08 151.4 42.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 p -104.07 154.17 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -139.04 124.95 19.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -60.72 -39.34 88.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -100.06 165.02 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.8 t-80 -65.27 140.54 97.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.686 0.755 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.58 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.68 -28.13 26.01 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.763 2.308 . . . . 0.0 112.357 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.81 0.254 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.54 HD23 ' NE2' ' A' ' 40' ' ' HIS . 72.1 mt -44.94 144.13 2.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.0 Cg_endo -69.7 168.46 21.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 106.88 1.72 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.43 -16.05 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -93.75 158.19 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -154.07 126.33 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.95 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.3 m-20 -150.61 138.96 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.464 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 28.9 m-90 -96.05 128.5 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.5 p -81.52 168.85 17.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.5 tpp -46.87 -58.97 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -44.09 -41.72 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.0 28.47 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -101.4 139.13 37.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.3 ttmt -96.02 116.28 28.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.2 p90 -123.07 145.16 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -103.97 126.93 51.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -98.5 135.19 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.514 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.1 t0 -104.19 108.17 19.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -81.2 -20.38 41.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -74.9 -37.63 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.8 p -112.09 -15.08 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' ASP . 50.7 t-20 70.08 49.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.06 153.19 44.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.52 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.1 p -104.06 152.29 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.0 m-70 -145.71 122.21 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -96.22 165.69 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.54 ' NE2' HD23 ' A' ' 12' ' ' LEU . 8.6 t-80 -70.37 140.63 87.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 54.0 Cg_endo -69.72 -23.76 30.61 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.819 0.258 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -41.0 147.47 0.42 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.75 167.54 24.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 106.12 1.61 Allowed 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.49 -15.47 6.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -93.96 159.73 15.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -153.48 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.7 p -91.95 147.05 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.9 t0 -151.1 139.74 20.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.46 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -96.04 127.7 42.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -81.87 168.07 18.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.8 mtm -45.58 -58.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -43.92 -42.13 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.05 26.32 2.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -99.75 139.65 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.2 ttmt -96.41 114.03 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.645 ' CE2' HD11 ' A' ' 29' ' ' ILE . 20.2 p90 -120.52 144.2 48.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -102.19 129.85 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.645 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -102.95 137.56 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.513 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 15.5 t0 -105.6 111.79 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.4 -20.3 37.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -74.67 -38.38 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -111.02 -18.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 74.07 47.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -141.7 150.59 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 p -103.61 154.94 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.241 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -144.38 125.46 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -61.38 -41.09 96.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -97.17 157.85 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.3 t-80 -57.0 140.6 77.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.68 -17.93 37.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.429 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.763 0.235 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.447 HD23 ' CE1' ' A' ' 40' ' ' HIS . 57.1 mt -47.17 146.55 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.6 Cg_endo -69.81 167.96 23.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 106.82 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.76 -14.9 6.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -95.19 156.23 16.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -153.03 125.81 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.487 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.6 p -91.95 151.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.547 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.2 m-20 -156.14 142.03 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.53 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -94.27 130.79 40.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -80.64 165.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.434 ' HB2' ' NH2' ' A' ' 23' ' ' ARG . 22.1 mtp -43.77 -58.93 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' NH2' ' HB2' ' A' ' 22' ' ' MET . 0.0 OUTLIER -45.56 -49.14 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.31 26.16 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -100.08 139.27 35.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -95.9 119.79 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.7 p90 -126.15 147.38 49.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -103.9 130.16 51.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 27' ' ' TYR . 16.5 mt -102.18 137.02 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 19.7 t0 -106.12 108.91 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -80.28 -21.14 43.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.8 -35.22 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -111.92 -15.19 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' ASP . 16.5 m-20 69.66 44.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -141.87 151.42 42.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -105.97 155.41 19.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -140.5 127.02 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -60.19 -41.6 93.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -102.25 156.45 17.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.5 t-80 -55.89 140.6 68.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.69 0.757 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.572 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 52.8 Cg_endo -69.74 -16.63 37.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.233 0.254 0 CA-C-O 120.779 0.241 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 28' ' ' TYR . 30.7 mt -47.39 149.44 1.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.74 167.71 23.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.392 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.59 1.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.26 -10.2 7.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.9 m95 -100.08 158.23 15.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.802 0.334 . . . . 0.0 110.833 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -155.55 126.41 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.895 HG21 ' HE2' ' A' ' 26' ' ' LYS . 10.0 p -92.03 148.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 t70 -150.8 143.46 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -98.8 126.91 44.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -79.44 164.82 23.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -44.46 -51.91 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -50.56 -43.74 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.19 26.64 2.0 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -99.15 139.65 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.895 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.7 tttt -95.94 115.11 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.0 p90 -124.33 143.95 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.424 ' CD1' HD21 ' A' ' 12' ' ' LEU . 20.3 m-85 -101.45 127.71 47.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.559 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.1 mt -100.55 135.0 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 27.7 t0 -104.82 109.89 22.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.29 -21.14 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -78.22 -36.54 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -109.39 -16.39 14.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ASP . 8.6 m-20 68.07 47.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -139.45 154.7 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.491 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.6 p -107.2 151.86 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.491 ' CD2' ' C ' ' A' ' 36' ' ' THR . 4.7 m-70 -143.91 127.32 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -66.16 -37.25 85.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -98.56 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -60.73 140.59 92.99 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.79 -23.75 30.32 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.874 0.281 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 mt -45.64 146.33 1.86 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.72 168.11 22.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.303 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.39 -12.03 7.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 41' ' ' PRO . 19.0 m95 -97.62 156.27 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.71 0.29 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -154.56 124.95 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.809 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.92 147.31 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 34.7 m-20 -149.1 144.57 26.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.5 m-90 -97.8 123.6 41.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 p -74.05 168.37 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.225 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.4 tpp -47.35 -57.32 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -45.98 -44.3 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.69 31.24 1.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -101.31 139.84 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HE2' HG21 ' A' ' 18' ' ' VAL . 31.2 tttt -95.92 116.21 28.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 20.1 p90 -128.9 150.39 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -104.26 133.29 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.457 HD11 ' CE2' ' A' ' 27' ' ' TYR . 19.9 mt -105.52 137.67 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' ASN . 24.4 t0 -106.26 110.14 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -79.34 -22.29 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -78.31 -34.95 48.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 p -110.39 -14.92 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER 66.87 45.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -141.96 150.25 41.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.454 ' CG2' HG12 ' A' ' 29' ' ' ILE . 3.2 p -104.52 154.03 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -139.35 125.39 19.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -60.66 -38.68 85.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -102.58 158.1 16.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -57.61 140.67 80.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.588 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.79 -25.66 28.23 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.746 0.227 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' A' ' 40' ' ' HIS . 60.2 mt -49.05 146.24 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.77 168.76 20.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 107.9 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.34 -14.49 7.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.583 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.7 m95 -95.86 153.63 17.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 p -152.72 124.25 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.569 HG21 ' NZ ' ' A' ' 26' ' ' LYS . 9.8 p -92.02 146.15 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 24.9 m-20 -149.55 140.89 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -93.93 128.0 40.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 p -78.49 166.44 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 tpp -48.02 -49.15 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -52.93 -42.85 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.49 30.15 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.21 139.6 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 12.2 tttm -95.86 111.84 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.8 p90 -124.23 148.09 47.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.93 138.41 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -108.65 135.11 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 12.9 t0 -106.84 107.46 18.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -79.93 -21.09 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.76 -34.84 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.5 p -110.51 -16.61 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.9 m-20 70.01 43.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.5 p -141.82 153.27 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 p -106.38 161.6 14.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -148.39 126.13 11.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 m -101.64 160.48 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.57 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.4 t-80 -66.43 140.61 96.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.717 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 -25.23 28.87 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.794 0.248 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' A' ' 40' ' ' HIS . 76.3 mt -42.52 144.3 0.99 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.82 169.04 19.91 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 103.8 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.236 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.77 1.03 8.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.598 ' CH2' ' OD2' ' A' ' 30' ' ' ASP . 18.7 m95 -111.04 151.36 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -149.32 126.31 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.9 p -91.91 145.35 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.591 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -151.13 140.04 20.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.455 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.9 m-90 -96.24 128.28 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -83.08 168.98 16.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.0 mmt -44.54 -61.36 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -42.7 -40.14 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.77 25.15 3.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -97.44 139.54 33.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.4 ttmt -96.0 113.93 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.9 p90 -119.33 143.73 47.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.62 126.39 50.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.456 HD11 ' CE2' ' A' ' 27' ' ' TYR . 13.8 mt -96.83 136.2 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.598 ' OD2' ' CH2' ' A' ' 16' ' ' TRP . 1.3 m-20 -105.22 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.32 -22.44 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.67 -34.17 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.4 p -114.43 -14.74 12.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' ASP . 39.4 t30 70.65 43.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p -141.48 149.79 41.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 p -99.41 163.94 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -152.76 133.0 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.401 ' CZ3' ' HB3' ' A' ' 27' ' ' TYR . 54.3 m95 -71.52 -30.47 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -102.46 164.04 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -73.85 140.62 77.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.2 Cg_endo -69.75 -28.41 25.32 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.722 2.281 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.831 0.263 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 40' ' ' HIS . 66.1 mt -45.29 147.28 1.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.961 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.79 168.1 22.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 109.24 2.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.33 -11.74 8.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.576 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -97.97 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -156.61 128.02 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.488 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.0 p -92.2 149.44 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 m-20 -152.9 141.95 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.508 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.4 m-90 -96.04 127.96 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.2 p -78.93 164.59 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -57.03 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -46.56 -47.04 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.39 25.14 1.19 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.42 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -99.38 139.99 34.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.508 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -96.35 120.73 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.659 ' CE2' HD11 ' A' ' 29' ' ' ILE . 21.7 p90 -126.78 147.77 49.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -104.25 128.48 52.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.659 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -102.64 138.77 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.516 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 16.0 t0 -106.61 107.79 18.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -79.47 -15.96 56.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.95 -37.37 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.6 p -111.47 -17.58 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ASP . 11.9 t-20 72.17 48.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.5 p -141.31 153.44 45.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -107.83 153.06 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -143.58 125.92 15.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -62.45 -37.75 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -99.17 163.99 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.4 t-80 -65.72 140.68 97.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 52.7 Cg_endo -69.88 -26.4 27.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.228 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.842 0.267 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 40' ' ' HIS . 73.8 mt -44.57 144.67 1.7 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.5 Cg_endo -69.79 167.9 23.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 109.28 2.26 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 122.725 2.284 . . . . 0.0 112.403 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.62 -15.6 7.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -93.7 158.78 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -154.38 124.81 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.0 p -92.1 147.04 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-20 -152.12 142.92 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.524 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.2 m-90 -95.49 127.81 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.1 p -79.04 167.78 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.0 mmm -46.46 -58.76 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -45.13 -42.17 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.29 27.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -101.13 140.93 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.97 119.5 34.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.0 p90 -126.19 145.03 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -102.21 132.98 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.448 HD11 ' CE2' ' A' ' 27' ' ' TYR . 14.6 mt -104.79 137.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.8 t0 -107.04 107.07 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -78.32 -23.64 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.77 -35.66 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.0 p -110.45 -16.91 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 m-20 69.55 46.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.5 p -141.87 154.84 45.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.3 p -106.13 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -144.87 124.97 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -61.11 -39.77 91.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -99.93 163.01 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -63.46 140.62 97.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.73 -24.12 30.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 120.781 0.242 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.95 147.49 0.42 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.74 167.51 24.21 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.38 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.55 -0.54 4.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -109.95 165.06 12.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -159.34 127.12 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.6 p -92.79 146.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 t70 -152.15 139.53 19.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.455 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.9 m-90 -91.9 132.32 36.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 p -81.29 165.72 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.0 mtp -47.84 -50.56 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -52.12 -40.85 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.97 23.67 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -99.96 140.49 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -95.95 119.59 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.6 p90 -126.05 147.03 49.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -102.47 139.65 37.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mt -111.63 135.51 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' ASN . 48.6 t0 -107.0 103.17 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -76.05 -11.65 59.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.98 -31.54 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -121.84 -5.41 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m120 59.81 50.51 6.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -139.8 153.49 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 p -104.91 157.97 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -150.17 125.9 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -65.71 -33.66 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -102.47 160.27 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 9.7 t-80 -60.89 140.33 93.62 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.73 -10.92 29.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.817 0.257 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.5 mt -45.88 145.03 2.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.75 168.99 19.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.63 2.22 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.97 -9.24 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.587 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -100.62 157.06 16.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -154.33 124.67 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.915 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.2 p -92.01 145.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -149.39 145.86 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 29.9 m-90 -99.51 126.32 45.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -78.16 168.01 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -44.41 -60.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -43.23 -47.93 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.27 29.06 1.04 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -100.06 141.86 32.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.915 ' HE2' HG21 ' A' ' 18' ' ' VAL . 24.4 tttt -96.22 116.33 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 18.0 p90 -126.13 142.82 51.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -101.14 131.39 47.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.1 mt -101.7 135.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.454 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 28.9 t0 -107.14 106.12 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -79.7 -17.61 53.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.21 -37.37 57.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.9 p -114.09 -10.79 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.9 m-20 67.52 46.59 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -139.57 153.53 47.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 p -107.06 155.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -144.69 125.3 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -62.27 -39.39 92.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -99.61 160.1 14.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.9 t-80 -60.56 140.57 92.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.547 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.83 -24.86 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.222 0 CA-C-O 120.851 0.271 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 28' ' ' TYR . 49.0 mt -42.62 147.51 0.61 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.76 168.58 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -0.84 8.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 30' ' ' ASP . 18.9 m95 -109.26 152.72 24.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -152.39 126.25 9.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.765 HG21 ' NZ ' ' A' ' 26' ' ' LYS . 7.9 p -91.9 151.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 17.1 t0 -155.64 145.68 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.507 ' CZ2' ' HE2' ' A' ' 26' ' ' LYS . 31.3 m-90 -100.42 129.12 46.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.3 p -83.22 168.71 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -44.11 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -44.44 -45.84 9.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.2 29.85 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -100.22 140.79 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.765 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 11.4 tttm -95.79 110.89 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 24.0 p90 -121.52 141.46 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CD2' HD21 ' A' ' 12' ' ' LEU . 34.9 m-85 -98.38 137.73 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 mt -106.99 137.43 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -107.02 108.55 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -78.01 -22.34 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.33 -33.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -110.96 -7.69 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' ASP . 7.1 m-20 59.07 42.06 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -139.96 153.16 46.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 p -102.21 163.08 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.529 ' CE1' ' OD2' ' A' ' 30' ' ' ASP . 67.3 m80 -152.43 129.09 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 27' ' ' TYR . 52.9 m95 -67.79 -30.39 69.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -101.2 166.56 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -76.13 140.56 69.84 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.81 -27.59 26.04 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 31.5 p -86.18 137.4 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.859 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 11.7 t -38.22 -62.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.26 64.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.442 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p 43.98 41.54 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.976 0.417 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -71.03 -45.41 63.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.789 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.01 156.1 13.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' ASP . 2.9 mm-40 -119.98 20.62 12.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLU . 26.8 t70 36.83 38.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.3 mt -49.36 157.24 0.93 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.684 0.754 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 83.72 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.292 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 40' ' ' HIS . 70.0 mt -45.93 144.48 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.78 168.09 22.57 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 109.47 2.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.625 2.217 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.13 -12.05 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.407 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -97.01 156.99 16.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -153.79 125.68 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.897 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.5 p -92.2 147.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.579 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -151.62 144.74 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -98.36 128.68 44.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.8 p -77.82 166.55 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.9 mmt -46.71 -51.14 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -51.27 -51.33 55.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.01 28.89 0.64 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -102.45 140.89 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.897 ' HE2' HG21 ' A' ' 18' ' ' VAL . 23.7 tttt -96.16 117.18 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.3 p90 -125.88 143.75 50.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -100.76 133.18 45.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -106.35 136.41 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.532 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 17.7 t0 -106.97 108.91 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.67 -17.11 54.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' OD1' ' A' ' 30' ' ' ASP . 5.2 m-80 -77.8 -38.05 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.5 p -112.62 -12.43 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.1 m-20 66.65 49.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.05 153.97 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.3 p -107.62 155.23 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -144.4 124.75 13.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.811 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -61.03 -40.88 95.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 p -103.0 155.1 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.8 t-80 -52.62 140.61 37.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.575 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.75 -19.81 35.69 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -91.85 -28.51 17.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CG ' ' HB3' ' A' ' 40' ' ' HIS . 8.9 mm-40 -60.4 -58.77 7.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 t -90.12 109.01 20.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 44.03 78.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.44 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -49.32 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.399 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m 46.9 42.85 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.816 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.6 t -96.27 -55.91 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.438 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' SER . 84.9 p -148.66 138.36 22.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 2' ' ' SER . 35.3 p -36.42 -54.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 135.26 -139.7 11.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLY . 39.1 m -36.76 101.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -135.58 170.09 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.68 71.29 0.13 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.556 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -92.24 100.85 13.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.334 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -99.25 46.06 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.8 mt -42.92 157.31 0.24 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 85.76 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.626 2.217 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.3 mt -48.91 147.44 4.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.78 168.31 21.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.754 2.303 . . . . 0.0 112.313 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 108.31 2.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.402 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.5 -12.41 7.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -97.5 156.16 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.5 m -154.47 127.3 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.781 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.6 p -91.99 146.58 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.584 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.6 t70 -151.09 140.36 21.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -92.62 128.59 38.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 p -79.8 168.47 19.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt -48.07 -54.74 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -48.34 -39.17 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.67 26.59 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -101.48 140.7 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.92 119.1 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.0 p90 -126.57 145.3 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -101.18 129.78 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' CE2' ' A' ' 27' ' ' TYR . 16.3 mt -103.28 137.17 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 26.0 t0 -106.78 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.33 -16.94 47.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -76.38 -39.73 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -111.1 -17.29 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 74.4 47.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.48 152.38 44.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 p -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -141.98 125.94 17.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -61.11 -40.66 94.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -100.02 155.37 17.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.7 t-80 -53.27 140.75 43.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.577 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.86 -21.0 33.64 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.3 mt -91.43 -25.87 19.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 40' ' ' HIS . 16.9 mm-40 -70.25 -60.46 2.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t -91.1 83.34 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.82 -158.3 9.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.56 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 98.48 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.731 2.287 . . . . 0.0 112.406 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.1 p -102.23 146.79 27.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.3 p -126.26 112.75 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.521 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -156.02 107.62 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.91 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -66.21 -62.22 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.09 80.99 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 p -84.17 -56.64 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -92.78 134.08 35.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.55 -54.24 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -88.98 93.99 9.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -76.12 48.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.7 mt -42.63 157.12 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 87.28 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.287 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -47.24 146.69 2.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.676 0.75 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.73 168.07 22.58 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.423 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.33 -14.85 7.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.63 158.18 15.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -154.79 124.52 6.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.872 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.3 p -91.99 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 t70 -151.07 141.06 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -95.3 129.43 42.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.9 p -81.15 166.8 20.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 tpp -45.81 -57.71 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -45.92 -41.59 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.53 32.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -103.93 140.29 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.872 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.3 tttt -96.04 118.78 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 27.6 p90 -129.29 141.91 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.68 133.63 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.1 mt -104.59 137.76 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.453 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 18.0 t0 -106.97 107.21 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -79.93 -21.68 43.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.84 -35.48 57.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.2 p -109.31 -20.75 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' ASP . 12.4 m-80 74.78 45.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -141.36 154.8 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 p -106.32 155.45 19.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -144.48 125.95 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -63.92 -38.83 92.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.5 m -98.76 163.24 12.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -62.94 140.57 97.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.552 0.691 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.72 -25.26 28.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt -86.4 -32.67 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.4 93.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -139.34 120.22 14.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.31 -93.85 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 109.87 2.41 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -81.37 151.23 28.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.1 t -120.88 139.59 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.5 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -102.75 118.99 38.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -124.01 102.39 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.54 154.75 8.71 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.445 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.4 t -97.14 -58.46 2.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.898 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 43.2 m -38.13 117.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.8 72.45 1.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -85.75 24.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t70 39.02 34.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 10' ' ' LEU . 14.4 mt -44.51 156.24 0.35 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.736 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 81.82 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 40' ' ' HIS . 75.9 mt -44.92 144.05 2.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.72 168.19 22.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 108.84 2.19 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.85 -14.59 7.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.591 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.8 155.63 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 p -152.75 124.31 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.933 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.98 148.38 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.4 t70 -151.94 145.19 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -98.28 127.73 44.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 p -79.21 167.66 20.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.2 tpp -47.33 -55.67 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -47.31 -43.06 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.44 31.83 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -105.22 141.31 36.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.933 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.8 tttt -95.88 118.4 32.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 19.1 p90 -127.92 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -98.56 133.65 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.76 136.58 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.546 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.0 t0 -107.02 108.16 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.41 -19.15 46.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -75.03 -38.79 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.7 p -110.08 -16.77 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 72.49 47.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 p -141.82 154.09 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 p -106.86 156.95 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -145.37 125.21 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -61.18 -39.73 91.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -100.97 161.79 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.575 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.4 t-80 -63.08 140.59 97.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.587 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.73 -26.02 28.14 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -86.97 -31.14 20.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.04 -59.11 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.1 p -66.57 121.98 16.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.58 145.77 4.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 1.98 3.99 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.5 p -74.34 161.0 30.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.806 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.9 t -61.33 105.52 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.528 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -56.56 113.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -76.54 165.48 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.792 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.74 -148.7 38.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -94.85 107.95 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -91.5 104.01 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.09 165.32 34.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.442 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' ASP . 4.7 mm-40 -126.67 21.47 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' GLU . 25.0 t70 36.83 39.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.2 mt -51.36 157.17 1.75 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.631 0.729 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 82.37 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.503 HD23 ' CE1' ' A' ' 40' ' ' HIS . 72.9 mt -45.1 144.82 1.92 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.78 168.69 20.86 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.393 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 110.68 2.6 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.43 -15.2 8.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.434 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.07 153.82 17.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 p -151.89 126.3 9.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.95 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.3 p -92.06 147.91 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.6 t70 -150.13 144.5 25.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.3 m-90 -98.6 125.39 43.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.0 p -77.45 166.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.5 mtp -46.73 -54.66 9.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -48.03 -41.96 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.26 1.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -105.53 140.43 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.95 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.6 tttt -96.01 116.91 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 16.4 p90 -126.4 143.82 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -100.3 129.96 46.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.11 137.07 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.499 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.0 t0 -106.78 106.38 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -80.2 -20.22 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -74.6 -36.08 62.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.1 p -113.43 -14.39 12.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m-20 70.9 46.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.94 152.23 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 p -105.98 154.53 20.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -142.9 122.97 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -58.91 -41.07 86.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -97.14 164.24 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.4 t-80 -65.68 140.55 97.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.0 Cg_endo -69.75 -27.08 26.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt -86.03 -31.84 21.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -57.24 -57.0 14.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 p -141.49 172.34 12.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.04 151.92 8.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 102.15 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.398 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.3 t -100.22 -50.1 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -69.77 131.32 44.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -143.08 114.45 7.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -70.71 -54.28 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.18 53.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -152.17 121.87 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -46.34 -51.34 14.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.45 146.24 10.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' ASP . 5.1 mt-10 -85.51 23.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' GLU . 12.2 t0 37.2 38.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 10' ' ' LEU . 14.7 mt -50.94 156.29 1.74 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 82.51 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 40' ' ' HIS . 73.1 mt -46.85 144.99 3.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.3 Cg_endo -69.72 168.88 20.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 108.81 2.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.45 7.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.593 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.5 m95 -93.34 154.88 17.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.4 p -151.61 123.67 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.8 p -91.91 146.45 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 m-20 -152.45 143.85 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.6 m-90 -97.51 130.5 44.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -82.24 168.96 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.0 mtp -47.88 -54.68 11.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -48.39 -41.6 29.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.4 28.47 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -102.19 139.92 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.486 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -96.05 115.8 27.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 26.0 p90 -123.29 143.92 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -101.69 132.74 47.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 mt -104.18 136.39 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.551 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 11.8 t0 -107.02 107.96 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.36 -19.31 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -75.31 -37.99 60.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.8 p -110.54 -18.53 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 73.18 47.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.01 154.5 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.511 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.9 p -104.7 154.6 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 36' ' ' THR . 6.6 m-70 -144.83 123.53 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -62.15 -39.85 94.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.9 m -100.26 158.27 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.5 t-80 -62.17 140.63 96.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.78 -23.69 30.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.385 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.7 mt -85.58 -33.66 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.44 100.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 t -174.74 119.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.04 152.85 11.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -36.09 11.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.382 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -156.37 116.94 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -103.74 173.41 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -64.24 110.68 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m -73.12 131.96 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.36 -166.41 20.86 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.512 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 p -141.38 137.77 32.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 m -95.85 176.26 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.89 123.59 5.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.557 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -107.94 1.95 22.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 t0 39.6 32.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 10' ' ' LEU . 14.1 mt -39.0 157.01 0.12 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 83.45 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.386 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD23 ' CE1' ' A' ' 40' ' ' HIS . 65.6 mt -48.67 146.33 5.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.78 167.71 23.69 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 106.84 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.743 2.296 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.66 -15.28 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -94.52 159.38 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -154.02 124.92 7.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.12 146.04 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 t70 -150.69 139.88 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.445 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -97.28 127.61 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 p -78.5 168.42 19.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -52.34 19.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.38 -50.78 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.07 22.97 1.08 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -97.44 141.95 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 6.2 ttmt -98.08 115.5 28.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.8 p90 -122.43 144.02 49.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -103.57 131.1 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.8 mt -102.6 136.78 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.483 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 15.4 t0 -104.91 108.42 19.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.55 -22.46 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -77.91 -35.46 50.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -109.91 -16.07 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' ASP . 38.3 t30 67.03 47.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.18 154.48 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.46 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.6 p -104.58 154.12 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 36' ' ' THR . 10.9 m-70 -145.57 122.08 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -61.01 -39.25 89.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -98.63 158.77 15.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 6.9 t-80 -62.86 140.58 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.82 -16.19 37.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.632 2.221 . . . . 0.0 112.337 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.4 mt -95.85 -25.66 15.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' CG ' ' HB3' ' A' ' 40' ' ' HIS . 23.7 mm-40 -60.64 -53.99 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -73.75 90.59 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.18 82.29 0.31 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 0.79 5.12 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.748 2.299 . . . . 0.0 112.291 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -91.38 -43.56 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 p -42.04 112.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -148.98 130.79 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -74.14 -48.87 26.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.53 80.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.554 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -48.11 108.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -168.36 142.07 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.22 86.01 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.447 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -85.22 94.78 8.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -77.88 46.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.3 mt -42.75 157.31 0.23 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.615 0.721 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 87.0 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.76 2.307 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 mt -47.14 145.52 3.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.76 169.14 19.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.637 2.225 . . . . 0.0 112.297 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 110.22 2.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.33 -16.49 8.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.3 m95 -92.78 155.04 17.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -152.4 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.852 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.88 147.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.526 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 10.4 t0 -150.99 146.63 26.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -100.05 125.72 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.3 p -79.0 166.99 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 tpt -41.67 -61.98 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -42.15 -49.43 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.17 23.95 1.35 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -95.24 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.852 ' HE2' HG21 ' A' ' 18' ' ' VAL . 21.6 tttt -97.34 117.07 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 14.7 p90 -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -99.73 130.6 45.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.42 137.69 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.528 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.1 t0 -106.93 107.36 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.17 -22.77 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.92 -34.5 62.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 p -111.61 -18.62 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ASP . 41.7 t30 73.85 43.6 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -142.08 151.4 42.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 p -104.07 154.17 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -139.04 124.95 19.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -60.72 -39.34 88.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -100.06 165.02 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.8 t-80 -65.27 140.54 97.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.686 0.755 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.58 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.68 -28.13 26.01 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.763 2.308 . . . . 0.0 112.357 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.4 mt -84.7 -32.34 23.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -58.52 99.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -169.12 127.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.53 -95.04 0.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.444 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.79 65.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.5 m -109.87 -45.33 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -88.62 42.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -81.74 -57.84 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.887 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -99.95 104.53 16.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.63 -142.02 9.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m 53.37 43.48 31.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.905 0.383 . . . . 0.0 110.925 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -98.06 -34.3 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.92 105.86 2.99 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASP . 8.7 mt-10 -90.78 23.84 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' GLU . 6.0 t70 37.99 36.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.59 157.11 1.02 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 84.51 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.744 2.296 . . . . 0.0 112.328 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.54 HD23 ' NE2' ' A' ' 40' ' ' HIS . 72.1 mt -44.94 144.13 2.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.0 Cg_endo -69.7 168.46 21.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 106.88 1.72 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.43 -16.05 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -93.75 158.19 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -154.07 126.33 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.95 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.3 m-20 -150.61 138.96 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.464 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 28.9 m-90 -96.05 128.5 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.5 p -81.52 168.85 17.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.5 tpp -46.87 -58.97 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -44.09 -41.72 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.0 28.47 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -101.4 139.13 37.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.3 ttmt -96.02 116.28 28.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.2 p90 -123.07 145.16 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -103.97 126.93 51.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -98.5 135.19 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.514 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.1 t0 -104.19 108.17 19.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -81.2 -20.38 41.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -74.9 -37.63 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.8 p -112.09 -15.08 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' ASP . 50.7 t-20 70.08 49.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.06 153.19 44.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.52 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.1 p -104.06 152.29 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.0 m-70 -145.71 122.21 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -96.22 165.69 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.54 ' NE2' HD23 ' A' ' 12' ' ' LEU . 8.6 t-80 -70.37 140.63 87.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 54.0 Cg_endo -69.72 -23.76 30.61 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -85.17 -33.26 22.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.58 -58.1 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -88.86 109.91 20.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.32 72.61 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.06 4.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.623 2.215 . . . . 0.0 112.32 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.7 m -73.88 113.08 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.4 t -80.34 -47.3 14.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m 51.65 42.08 29.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.943 0.401 . . . . 0.0 110.921 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t 64.35 42.32 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.927 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.64 -162.87 29.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -118.13 -53.77 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -46.4 121.94 3.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.35 -122.61 2.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.14 94.09 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -76.25 48.28 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.4 mt -41.35 157.4 0.2 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 85.84 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.623 2.216 . . . . 0.0 112.362 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -41.0 147.47 0.42 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.75 167.54 24.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 106.12 1.61 Allowed 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.49 -15.47 6.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -93.96 159.73 15.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -153.48 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.7 p -91.95 147.05 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.9 t0 -151.1 139.74 20.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.46 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -96.04 127.7 42.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -81.87 168.07 18.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.8 mtm -45.58 -58.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -43.92 -42.13 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.05 26.32 2.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -99.75 139.65 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.2 ttmt -96.41 114.03 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.645 ' CE2' HD11 ' A' ' 29' ' ' ILE . 20.2 p90 -120.52 144.2 48.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -102.19 129.85 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.645 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -102.95 137.56 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.513 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 15.5 t0 -105.6 111.79 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.4 -20.3 37.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -74.67 -38.38 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -111.02 -18.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 74.07 47.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -141.7 150.59 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 p -103.61 154.94 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.241 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -144.38 125.46 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -61.38 -41.09 96.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -97.17 157.85 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.3 t-80 -57.0 140.6 77.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.68 -17.93 37.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.429 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -92.14 -27.32 17.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -68.25 -58.51 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 m -85.54 88.43 7.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.72 65.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 -177.33 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.248 . . . . 0.0 112.342 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -121.77 126.19 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -109.7 42.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 23.9 p -142.21 156.2 45.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.0 t -37.5 106.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.1 -172.71 44.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.6 p -104.25 168.48 9.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -117.74 -54.78 2.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.24 53.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.05 100.99 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -83.91 36.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.3 mt -45.63 157.37 0.38 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.614 0.721 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 82.15 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.447 HD23 ' CE1' ' A' ' 40' ' ' HIS . 57.1 mt -47.17 146.55 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.6 Cg_endo -69.81 167.96 23.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 106.82 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.76 -14.9 6.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -95.19 156.23 16.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -153.03 125.81 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.487 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.6 p -91.95 151.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.547 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.2 m-20 -156.14 142.03 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.53 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -94.27 130.79 40.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -80.64 165.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.434 ' HB2' ' NH2' ' A' ' 23' ' ' ARG . 22.1 mtp -43.77 -58.93 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' NH2' ' HB2' ' A' ' 22' ' ' MET . 0.0 OUTLIER -45.56 -49.14 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.31 26.16 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -100.08 139.27 35.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -95.9 119.79 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.7 p90 -126.15 147.38 49.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -103.9 130.16 51.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 27' ' ' TYR . 16.5 mt -102.18 137.02 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 19.7 t0 -106.12 108.91 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -80.28 -21.14 43.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.8 -35.22 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -111.92 -15.19 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' ASP . 16.5 m-20 69.66 44.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -141.87 151.42 42.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -105.97 155.41 19.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -140.5 127.02 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -60.19 -41.6 93.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -102.25 156.45 17.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.5 t-80 -55.89 140.6 68.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.69 0.757 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.572 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 52.8 Cg_endo -69.74 -16.63 37.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 mt -94.48 -28.61 15.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -59.25 -56.66 19.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.8 t -161.54 158.26 26.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.94 146.46 4.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 2.73 3.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.1 p -90.69 169.86 10.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -133.7 120.68 20.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLY . 70.2 p 36.01 42.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.867 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -60.12 126.84 29.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.79 -57.73 0.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -163.83 117.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.924 0.392 . . . . 0.0 110.775 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 m -42.4 -44.35 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.95 136.04 3.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.551 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.484 ' OE1' HD21 ' A' ' 10' ' ' LEU . 6.2 pt-20 -108.17 -0.3 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' GLU . 13.4 t70 34.44 43.24 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.484 HD21 ' OE1' ' A' ' 8' ' ' GLU . 10.3 mt -37.68 153.58 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.72 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 28' ' ' TYR . 30.7 mt -47.39 149.44 1.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.74 167.71 23.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.392 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.59 1.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.26 -10.2 7.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.9 m95 -100.08 158.23 15.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.802 0.334 . . . . 0.0 110.833 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -155.55 126.41 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.895 HG21 ' HE2' ' A' ' 26' ' ' LYS . 10.0 p -92.03 148.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 t70 -150.8 143.46 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -98.8 126.91 44.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -79.44 164.82 23.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -44.46 -51.91 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -50.56 -43.74 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.19 26.64 2.0 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -99.15 139.65 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.895 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.7 tttt -95.94 115.11 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.0 p90 -124.33 143.95 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.424 ' CD1' HD21 ' A' ' 12' ' ' LEU . 20.3 m-85 -101.45 127.71 47.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.559 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.1 mt -100.55 135.0 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 27.7 t0 -104.82 109.89 22.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.29 -21.14 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -78.22 -36.54 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -109.39 -16.39 14.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ASP . 8.6 m-20 68.07 47.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -139.45 154.7 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.491 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.6 p -107.2 151.86 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.491 ' CD2' ' C ' ' A' ' 36' ' ' THR . 4.7 m-70 -143.91 127.32 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -66.16 -37.25 85.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -98.56 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -60.73 140.59 92.99 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.79 -23.75 30.32 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -88.36 -30.04 19.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -66.6 -45.48 79.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 p -62.59 122.0 14.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.19 160.35 27.24 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -23.6 30.6 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p 42.1 42.14 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.793 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.9 t -76.97 -59.28 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -73.72 164.57 26.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -44.26 114.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.05 -47.9 83.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -95.31 122.94 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.4 . . . . 0.0 110.886 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -152.54 135.03 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.63 159.04 10.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -78.22 96.61 5.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -78.55 45.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.3 mt -47.61 157.36 0.58 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.55 0.69 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 85.31 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 mt -45.64 146.33 1.86 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.72 168.11 22.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.303 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.39 -12.03 7.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 41' ' ' PRO . 19.0 m95 -97.62 156.27 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.71 0.29 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -154.56 124.95 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.809 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.92 147.31 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 34.7 m-20 -149.1 144.57 26.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.5 m-90 -97.8 123.6 41.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 p -74.05 168.37 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.225 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.4 tpp -47.35 -57.32 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -45.98 -44.3 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.69 31.24 1.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -101.31 139.84 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HE2' HG21 ' A' ' 18' ' ' VAL . 31.2 tttt -95.92 116.21 28.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 20.1 p90 -128.9 150.39 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -104.26 133.29 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.457 HD11 ' CE2' ' A' ' 27' ' ' TYR . 19.9 mt -105.52 137.67 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' ASN . 24.4 t0 -106.26 110.14 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -79.34 -22.29 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -78.31 -34.95 48.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 p -110.39 -14.92 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER 66.87 45.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -141.96 150.25 41.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.454 ' CG2' HG12 ' A' ' 29' ' ' ILE . 3.2 p -104.52 154.03 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -139.35 125.39 19.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -60.66 -38.68 85.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -102.58 158.1 16.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -57.61 140.67 80.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.588 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.79 -25.66 28.23 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.5 mt -85.63 -33.03 21.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.33 98.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -161.77 161.15 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.52 -170.12 40.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -4.99 15.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.643 2.228 . . . . 0.0 112.327 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 61.87 42.16 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 m -118.07 42.09 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -172.33 155.68 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m -50.65 140.05 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.89 165.26 12.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -91.13 177.69 6.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -115.46 127.04 55.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.64 -144.4 0.75 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 9' ' ' ASP . 1.7 pm0 -121.72 1.04 9.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.0 110.854 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' GLU . 42.3 t0 34.43 42.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 10' ' ' LEU . 13.5 mt -36.85 155.46 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 83.9 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' A' ' 40' ' ' HIS . 60.2 mt -49.05 146.24 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.77 168.76 20.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 107.9 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.34 -14.49 7.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.583 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.7 m95 -95.86 153.63 17.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 p -152.72 124.25 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.569 HG21 ' NZ ' ' A' ' 26' ' ' LYS . 9.8 p -92.02 146.15 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 24.9 m-20 -149.55 140.89 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -93.93 128.0 40.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 p -78.49 166.44 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 tpp -48.02 -49.15 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -52.93 -42.85 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.49 30.15 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.21 139.6 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 12.2 tttm -95.86 111.84 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.8 p90 -124.23 148.09 47.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.93 138.41 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -108.65 135.11 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 12.9 t0 -106.84 107.46 18.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -79.93 -21.09 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.76 -34.84 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.5 p -110.51 -16.61 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.9 m-20 70.01 43.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.5 p -141.82 153.27 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 p -106.38 161.6 14.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -148.39 126.13 11.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 m -101.64 160.48 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.57 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.4 t-80 -66.43 140.61 96.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.717 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 -25.23 28.87 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt -84.68 -33.68 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.66 -42.37 83.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.9 p -57.69 143.37 41.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.01 -172.87 35.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 2.27 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 62.38 43.46 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -118.72 149.96 40.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.407 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -103.39 123.82 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 61.58 42.24 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.84 -148.89 20.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -171.72 159.17 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.823 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m -94.31 -44.27 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.44 130.35 1.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.422 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' ASP . 7.8 pt-20 -125.84 1.23 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' GLU . 39.6 t0 34.42 42.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 10' ' ' LEU . 14.0 mt -37.46 156.21 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.699 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 80.52 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' A' ' 40' ' ' HIS . 76.3 mt -42.52 144.3 0.99 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.82 169.04 19.91 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 103.8 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.236 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.77 1.03 8.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.598 ' CH2' ' OD2' ' A' ' 30' ' ' ASP . 18.7 m95 -111.04 151.36 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -149.32 126.31 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.9 p -91.91 145.35 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.591 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -151.13 140.04 20.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.455 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.9 m-90 -96.24 128.28 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -83.08 168.98 16.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.0 mmt -44.54 -61.36 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -42.7 -40.14 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.77 25.15 3.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -97.44 139.54 33.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.4 ttmt -96.0 113.93 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.9 p90 -119.33 143.73 47.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.62 126.39 50.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.456 HD11 ' CE2' ' A' ' 27' ' ' TYR . 13.8 mt -96.83 136.2 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.598 ' OD2' ' CH2' ' A' ' 16' ' ' TRP . 1.3 m-20 -105.22 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.32 -22.44 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.67 -34.17 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.4 p -114.43 -14.74 12.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' ASP . 39.4 t30 70.65 43.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p -141.48 149.79 41.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 p -99.41 163.94 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -152.76 133.0 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.401 ' CZ3' ' HB3' ' A' ' 27' ' ' TYR . 54.3 m95 -71.52 -30.47 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -102.46 164.04 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -73.85 140.62 77.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.2 Cg_endo -69.75 -28.41 25.32 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.722 2.281 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.53 -29.38 24.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.69 -63.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 t -71.3 158.84 35.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.76 166.17 35.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.73 4.14 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.2 m -91.04 122.08 33.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.1 t -148.64 142.45 25.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.419 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -49.37 124.79 9.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 m -140.98 160.31 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.83 174.38 25.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.434 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -48.54 -61.4 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -73.86 162.41 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.2 -36.24 2.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.15 98.46 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -85.56 37.1 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 mt -42.5 156.61 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.651 0.738 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 85.58 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 40' ' ' HIS . 66.1 mt -45.29 147.28 1.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.961 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.79 168.1 22.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 109.24 2.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.33 -11.74 8.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.576 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -97.97 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -156.61 128.02 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.488 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.0 p -92.2 149.44 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 m-20 -152.9 141.95 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.508 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.4 m-90 -96.04 127.96 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.2 p -78.93 164.59 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -57.03 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -46.56 -47.04 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.39 25.14 1.19 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.42 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -99.38 139.99 34.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.508 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -96.35 120.73 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.659 ' CE2' HD11 ' A' ' 29' ' ' ILE . 21.7 p90 -126.78 147.77 49.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -104.25 128.48 52.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.659 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -102.64 138.77 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.516 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 16.0 t0 -106.61 107.79 18.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -79.47 -15.96 56.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.95 -37.37 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.6 p -111.47 -17.58 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ASP . 11.9 t-20 72.17 48.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.5 p -141.31 153.44 45.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -107.83 153.06 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -143.58 125.92 15.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -62.45 -37.75 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -99.17 163.99 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.4 t-80 -65.72 140.68 97.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 52.7 Cg_endo -69.88 -26.4 27.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.228 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -85.63 -31.3 22.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.97 -58.62 7.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -129.65 124.84 34.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.008 0.432 . . . . 0.0 110.791 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.42 146.25 4.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 157.41 60.51 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.0 p -95.57 79.59 3.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -107.91 105.87 15.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -134.54 142.7 47.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -103.53 -51.87 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.19 84.57 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -41.9 139.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -116.45 -56.49 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.66 144.81 0.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -117.91 23.48 11.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 37.95 37.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.2 mt -46.1 157.21 0.42 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.607 0.717 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 82.74 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.702 2.268 . . . . 0.0 112.359 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 40' ' ' HIS . 73.8 mt -44.57 144.67 1.7 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.5 Cg_endo -69.79 167.9 23.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 109.28 2.26 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 122.725 2.284 . . . . 0.0 112.403 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.62 -15.6 7.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -93.7 158.78 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -154.38 124.81 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.0 p -92.1 147.04 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-20 -152.12 142.92 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.524 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.2 m-90 -95.49 127.81 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.1 p -79.04 167.78 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.0 mmm -46.46 -58.76 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -45.13 -42.17 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.29 27.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -101.13 140.93 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.97 119.5 34.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.0 p90 -126.19 145.03 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -102.21 132.98 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.448 HD11 ' CE2' ' A' ' 27' ' ' TYR . 14.6 mt -104.79 137.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.8 t0 -107.04 107.07 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -78.32 -23.64 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.77 -35.66 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.0 p -110.45 -16.91 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 m-20 69.55 46.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.5 p -141.87 154.84 45.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.3 p -106.13 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -144.87 124.97 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -61.11 -39.77 91.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -99.93 163.01 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -63.46 140.62 97.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.73 -24.12 30.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.9 mt -85.18 -31.98 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.48 -44.44 74.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.0 p -56.02 -50.97 69.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.61 83.36 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 169.25 19.27 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.757 2.305 . . . . 0.0 112.374 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -49.88 127.58 16.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 t -70.56 -54.2 13.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 p -83.07 174.33 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -69.98 158.36 35.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.89 99.12 0.82 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -135.17 134.05 39.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t 65.94 41.64 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.79 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.14 116.58 0.61 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -129.81 18.35 5.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 t0 42.52 36.02 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.3 mt -45.66 156.38 0.43 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 84.96 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.41 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.95 147.49 0.42 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.74 167.51 24.21 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.38 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.55 -0.54 4.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -109.95 165.06 12.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -159.34 127.12 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.6 p -92.79 146.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 t70 -152.15 139.53 19.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.455 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.9 m-90 -91.9 132.32 36.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 p -81.29 165.72 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.0 mtp -47.84 -50.56 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -52.12 -40.85 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.97 23.67 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -99.96 140.49 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -95.95 119.59 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.6 p90 -126.05 147.03 49.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -102.47 139.65 37.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mt -111.63 135.51 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' ASN . 48.6 t0 -107.0 103.17 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -76.05 -11.65 59.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.98 -31.54 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -121.84 -5.41 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m120 59.81 50.51 6.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -139.8 153.49 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 p -104.91 157.97 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -150.17 125.9 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -65.71 -33.66 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -102.47 160.27 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 9.7 t-80 -60.89 140.33 93.62 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.73 -10.92 29.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 mt -102.8 -11.46 18.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -90.06 91.83 8.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 t -148.61 148.7 30.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.03 83.17 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -11.82 31.68 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -83.11 157.9 22.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 m -148.91 165.19 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -164.17 147.35 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -118.88 159.63 23.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.61 74.42 0.23 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.532 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 m -105.0 -57.4 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -150.3 112.68 4.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 9' ' ' ASP . . . -160.9 -42.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' ASP . 2.3 mm-40 39.87 27.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' GLY . 4.3 t70 36.29 40.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.9 mt -46.7 157.12 0.47 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.561 0.696 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 84.2 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.5 mt -45.88 145.03 2.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.75 168.99 19.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.63 2.22 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.97 -9.24 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.587 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -100.62 157.06 16.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -154.33 124.67 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.915 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.2 p -92.01 145.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -149.39 145.86 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 29.9 m-90 -99.51 126.32 45.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -78.16 168.01 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -44.41 -60.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -43.23 -47.93 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.27 29.06 1.04 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -100.06 141.86 32.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.915 ' HE2' HG21 ' A' ' 18' ' ' VAL . 24.4 tttt -96.22 116.33 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 18.0 p90 -126.13 142.82 51.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -101.14 131.39 47.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.1 mt -101.7 135.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.454 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 28.9 t0 -107.14 106.12 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -79.7 -17.61 53.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.21 -37.37 57.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.9 p -114.09 -10.79 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.9 m-20 67.52 46.59 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -139.57 153.53 47.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 p -107.06 155.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -144.69 125.3 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -62.27 -39.39 92.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -99.61 160.1 14.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 8.9 t-80 -60.56 140.57 92.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.547 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.83 -24.86 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 mt -87.47 -32.05 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.49 -47.2 87.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.0 t -137.57 135.62 36.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.89 147.27 5.54 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -13.75 35.37 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -118.19 131.1 56.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -46.11 -47.84 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -114.4 -59.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -71.95 92.01 1.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.74 78.4 0.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 p -162.16 137.28 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -110.25 143.36 40.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.73 152.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -114.87 2.52 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 t70 39.33 33.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 10' ' ' LEU . 12.5 mt -39.0 154.45 0.15 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.516 0.674 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.63 80.19 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 28' ' ' TYR . 49.0 mt -42.62 147.51 0.61 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.76 168.58 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -0.84 8.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 30' ' ' ASP . 18.9 m95 -109.26 152.72 24.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -152.39 126.25 9.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.765 HG21 ' NZ ' ' A' ' 26' ' ' LYS . 7.9 p -91.9 151.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 17.1 t0 -155.64 145.68 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.507 ' CZ2' ' HE2' ' A' ' 26' ' ' LYS . 31.3 m-90 -100.42 129.12 46.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.3 p -83.22 168.71 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -44.11 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -44.44 -45.84 9.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.2 29.85 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -100.22 140.79 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.765 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 11.4 tttm -95.79 110.89 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 24.0 p90 -121.52 141.46 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CD2' HD21 ' A' ' 12' ' ' LEU . 34.9 m-85 -98.38 137.73 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 mt -106.99 137.43 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -107.02 108.55 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -78.01 -22.34 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.33 -33.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -110.96 -7.69 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' ASP . 7.1 m-20 59.07 42.06 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -139.96 153.16 46.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 p -102.21 163.08 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.529 ' CE1' ' OD2' ' A' ' 30' ' ' ASP . 67.3 m80 -152.43 129.09 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 27' ' ' TYR . 52.9 m95 -67.79 -30.39 69.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -101.2 166.56 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -76.13 140.56 69.84 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.81 -27.59 26.04 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -85.65 -29.26 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.43 -58.86 6.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.2 t -129.91 113.48 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.94 -89.87 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.39 34.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.393 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 t -71.7 132.62 44.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.791 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -112.55 -53.56 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.409 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.837 0.266 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 40' ' ' HIS . 70.0 mt -45.93 144.48 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.78 168.09 22.57 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 109.47 2.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.625 2.217 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.13 -12.05 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.407 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -97.01 156.99 16.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -153.79 125.68 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.897 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.5 p -92.2 147.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.579 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -151.62 144.74 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -98.36 128.68 44.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.8 p -77.82 166.55 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.9 mmt -46.71 -51.14 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -51.27 -51.33 55.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.01 28.89 0.64 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -102.45 140.89 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.897 ' HE2' HG21 ' A' ' 18' ' ' VAL . 23.7 tttt -96.16 117.18 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.3 p90 -125.88 143.75 50.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -100.76 133.18 45.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -106.35 136.41 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.532 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 17.7 t0 -106.97 108.91 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.67 -17.11 54.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' OD1' ' A' ' 30' ' ' ASP . 5.2 m-80 -77.8 -38.05 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.5 p -112.62 -12.43 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.1 m-20 66.65 49.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.05 153.97 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.493 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.3 p -107.62 155.23 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.6 m-70 -144.4 124.75 13.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.811 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -61.03 -40.88 95.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 p -103.0 155.1 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.8 t-80 -52.62 140.61 37.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.575 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.75 -19.81 35.69 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.214 0 CA-C-O 120.831 0.263 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.3 mt -48.91 147.44 4.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.78 168.31 21.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.754 2.303 . . . . 0.0 112.313 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 108.31 2.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.402 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.5 -12.41 7.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -97.5 156.16 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.5 m -154.47 127.3 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.781 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.6 p -91.99 146.58 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.584 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.6 t70 -151.09 140.36 21.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -92.62 128.59 38.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 p -79.8 168.47 19.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt -48.07 -54.74 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -48.34 -39.17 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.67 26.59 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -101.48 140.7 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.92 119.1 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.0 p90 -126.57 145.3 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -101.18 129.78 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' CE2' ' A' ' 27' ' ' TYR . 16.3 mt -103.28 137.17 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 26.0 t0 -106.78 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.33 -16.94 47.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -76.38 -39.73 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -111.1 -17.29 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 74.4 47.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.48 152.38 44.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.477 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.4 p -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.8 m-70 -141.98 125.94 17.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -61.11 -40.66 94.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -100.02 155.37 17.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.7 t-80 -53.27 140.75 43.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.577 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.86 -21.0 33.64 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.797 0.249 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -47.24 146.69 2.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.676 0.75 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.73 168.07 22.58 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.423 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.33 -14.85 7.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.63 158.18 15.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -154.79 124.52 6.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.872 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.3 p -91.99 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 t70 -151.07 141.06 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -95.3 129.43 42.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.9 p -81.15 166.8 20.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 tpp -45.81 -57.71 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -45.92 -41.59 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.53 32.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -103.93 140.29 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.872 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.3 tttt -96.04 118.78 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 27.6 p90 -129.29 141.91 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.68 133.63 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.1 mt -104.59 137.76 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.453 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 18.0 t0 -106.97 107.21 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -79.93 -21.68 43.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.84 -35.48 57.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.2 p -109.31 -20.75 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' ASP . 12.4 m-80 74.78 45.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -141.36 154.8 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.509 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.4 p -106.32 155.45 19.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.1 m-70 -144.48 125.95 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -63.92 -38.83 92.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.5 m -98.76 163.24 12.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -62.94 140.57 97.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.552 0.691 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.72 -25.26 28.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.816 0.257 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 40' ' ' HIS . 75.9 mt -44.92 144.05 2.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.72 168.19 22.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 108.84 2.19 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.85 -14.59 7.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.591 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.8 155.63 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 p -152.75 124.31 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.933 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.98 148.38 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.4 t70 -151.94 145.19 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -98.28 127.73 44.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 p -79.21 167.66 20.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.2 tpp -47.33 -55.67 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -47.31 -43.06 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.44 31.83 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -105.22 141.31 36.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.933 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.8 tttt -95.88 118.4 32.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 19.1 p90 -127.92 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -98.56 133.65 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.76 136.58 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.546 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.0 t0 -107.02 108.16 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.41 -19.15 46.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -75.03 -38.79 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.7 p -110.08 -16.77 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 72.49 47.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 p -141.82 154.09 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.526 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -106.86 156.95 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.6 m-70 -145.37 125.21 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -61.18 -39.73 91.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -100.97 161.79 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.575 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.4 t-80 -63.08 140.59 97.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.587 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.73 -26.02 28.14 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.873 0.281 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.503 HD23 ' CE1' ' A' ' 40' ' ' HIS . 72.9 mt -45.1 144.82 1.92 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.78 168.69 20.86 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.393 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 110.68 2.6 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.43 -15.2 8.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.434 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.07 153.82 17.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 p -151.89 126.3 9.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.95 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.3 p -92.06 147.91 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.6 t70 -150.13 144.5 25.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.3 m-90 -98.6 125.39 43.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.0 p -77.45 166.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.5 mtp -46.73 -54.66 9.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -48.03 -41.96 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.26 1.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -105.53 140.43 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.95 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.6 tttt -96.01 116.91 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 16.4 p90 -126.4 143.82 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -100.3 129.96 46.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.11 137.07 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.499 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.0 t0 -106.78 106.38 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -80.2 -20.22 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -74.6 -36.08 62.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.1 p -113.43 -14.39 12.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m-20 70.9 46.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.94 152.23 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.501 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.7 p -105.98 154.53 20.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.501 ' CD2' ' C ' ' A' ' 36' ' ' THR . 6.6 m-70 -142.9 122.97 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -58.91 -41.07 86.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -97.14 164.24 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.4 t-80 -65.68 140.55 97.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.0 Cg_endo -69.75 -27.08 26.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.811 0.254 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 40' ' ' HIS . 73.1 mt -46.85 144.99 3.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.3 Cg_endo -69.72 168.88 20.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 108.81 2.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.45 7.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.593 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.5 m95 -93.34 154.88 17.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.4 p -151.61 123.67 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.8 p -91.91 146.45 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 m-20 -152.45 143.85 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.6 m-90 -97.51 130.5 44.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -82.24 168.96 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.0 mtp -47.88 -54.68 11.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -48.39 -41.6 29.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.4 28.47 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -102.19 139.92 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.486 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -96.05 115.8 27.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 26.0 p90 -123.29 143.92 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -101.69 132.74 47.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 mt -104.18 136.39 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.551 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 11.8 t0 -107.02 107.96 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.36 -19.31 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -75.31 -37.99 60.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.8 p -110.54 -18.53 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 73.18 47.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.01 154.5 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.511 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.9 p -104.7 154.6 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 36' ' ' THR . 6.6 m-70 -144.83 123.53 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -62.15 -39.85 94.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.9 m -100.26 158.27 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.5 t-80 -62.17 140.63 96.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.78 -23.69 30.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.385 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.825 0.26 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD23 ' CE1' ' A' ' 40' ' ' HIS . 65.6 mt -48.67 146.33 5.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.78 167.71 23.69 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 106.84 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.743 2.296 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.66 -15.28 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -94.52 159.38 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -154.02 124.92 7.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.12 146.04 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 t70 -150.69 139.88 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.445 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -97.28 127.61 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 p -78.5 168.42 19.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -52.34 19.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.38 -50.78 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.07 22.97 1.08 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -97.44 141.95 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 6.2 ttmt -98.08 115.5 28.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.8 p90 -122.43 144.02 49.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -103.57 131.1 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.8 mt -102.6 136.78 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.483 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 15.4 t0 -104.91 108.42 19.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.55 -22.46 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -77.91 -35.46 50.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -109.91 -16.07 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' ASP . 38.3 t30 67.03 47.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.18 154.48 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.46 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.6 p -104.58 154.12 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 36' ' ' THR . 10.9 m-70 -145.57 122.08 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -61.01 -39.25 89.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -98.63 158.77 15.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 6.9 t-80 -62.86 140.58 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.82 -16.19 37.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.632 2.221 . . . . 0.0 112.337 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.831 0.263 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 mt -47.14 145.52 3.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.76 169.14 19.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.637 2.225 . . . . 0.0 112.297 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 110.22 2.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.33 -16.49 8.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.3 m95 -92.78 155.04 17.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -152.4 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.852 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.88 147.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.526 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 10.4 t0 -150.99 146.63 26.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -100.05 125.72 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.3 p -79.0 166.99 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 tpt -41.67 -61.98 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -42.15 -49.43 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.17 23.95 1.35 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -95.24 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.852 ' HE2' HG21 ' A' ' 18' ' ' VAL . 21.6 tttt -97.34 117.07 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 14.7 p90 -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -99.73 130.6 45.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.42 137.69 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.528 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.1 t0 -106.93 107.36 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.17 -22.77 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.92 -34.5 62.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 p -111.61 -18.62 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ASP . 41.7 t30 73.85 43.6 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -142.08 151.4 42.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.515 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.9 p -104.07 154.17 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.515 ' CD2' ' C ' ' A' ' 36' ' ' THR . 3.2 m-70 -139.04 124.95 19.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -60.72 -39.34 88.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -100.06 165.02 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.8 t-80 -65.27 140.54 97.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.686 0.755 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.58 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.68 -28.13 26.01 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.763 2.308 . . . . 0.0 112.357 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.81 0.254 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.54 HD23 ' NE2' ' A' ' 40' ' ' HIS . 72.1 mt -44.94 144.13 2.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.0 Cg_endo -69.7 168.46 21.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 106.88 1.72 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.43 -16.05 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -93.75 158.19 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -154.07 126.33 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.95 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.3 m-20 -150.61 138.96 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.464 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 28.9 m-90 -96.05 128.5 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.5 p -81.52 168.85 17.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.5 tpp -46.87 -58.97 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -44.09 -41.72 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.0 28.47 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -101.4 139.13 37.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.3 ttmt -96.02 116.28 28.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.2 p90 -123.07 145.16 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -103.97 126.93 51.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -98.5 135.19 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.514 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.1 t0 -104.19 108.17 19.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -81.2 -20.38 41.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -74.9 -37.63 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.8 p -112.09 -15.08 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' ASP . 50.7 t-20 70.08 49.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.06 153.19 44.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.52 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.1 p -104.06 152.29 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.0 m-70 -145.71 122.21 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -96.22 165.69 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.54 ' NE2' HD23 ' A' ' 12' ' ' LEU . 8.6 t-80 -70.37 140.63 87.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 54.0 Cg_endo -69.72 -23.76 30.61 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.819 0.258 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -41.0 147.47 0.42 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.75 167.54 24.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 106.12 1.61 Allowed 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.49 -15.47 6.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -93.96 159.73 15.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -153.48 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.7 p -91.95 147.05 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.9 t0 -151.1 139.74 20.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.46 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -96.04 127.7 42.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -81.87 168.07 18.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.8 mtm -45.58 -58.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -43.92 -42.13 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.05 26.32 2.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -99.75 139.65 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.2 ttmt -96.41 114.03 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.645 ' CE2' HD11 ' A' ' 29' ' ' ILE . 20.2 p90 -120.52 144.2 48.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -102.19 129.85 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.645 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -102.95 137.56 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.513 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 15.5 t0 -105.6 111.79 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.4 -20.3 37.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -74.67 -38.38 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -111.02 -18.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 74.07 47.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -141.7 150.59 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.51 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 6.8 p -103.61 154.94 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.241 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.51 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.2 m-70 -144.38 125.46 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -61.38 -41.09 96.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -97.17 157.85 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.3 t-80 -57.0 140.6 77.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.68 -17.93 37.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.429 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.763 0.235 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.447 HD23 ' CE1' ' A' ' 40' ' ' HIS . 57.1 mt -47.17 146.55 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.6 Cg_endo -69.81 167.96 23.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 106.82 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.76 -14.9 6.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -95.19 156.23 16.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -153.03 125.81 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.487 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.6 p -91.95 151.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.547 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.2 m-20 -156.14 142.03 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.53 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -94.27 130.79 40.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -80.64 165.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.434 ' HB2' ' NH2' ' A' ' 23' ' ' ARG . 22.1 mtp -43.77 -58.93 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' NH2' ' HB2' ' A' ' 22' ' ' MET . 0.0 OUTLIER -45.56 -49.14 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.31 26.16 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -100.08 139.27 35.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -95.9 119.79 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.7 p90 -126.15 147.38 49.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -103.9 130.16 51.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 27' ' ' TYR . 16.5 mt -102.18 137.02 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 19.7 t0 -106.12 108.91 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -80.28 -21.14 43.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.8 -35.22 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -111.92 -15.19 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' ASP . 16.5 m-20 69.66 44.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -141.87 151.42 42.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -105.97 155.41 19.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -140.5 127.02 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -60.19 -41.6 93.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -102.25 156.45 17.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.5 t-80 -55.89 140.6 68.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.69 0.757 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.572 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 52.8 Cg_endo -69.74 -16.63 37.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.233 0.254 0 CA-C-O 120.779 0.241 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 28' ' ' TYR . 30.7 mt -47.39 149.44 1.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.74 167.71 23.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.392 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.59 1.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.26 -10.2 7.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.9 m95 -100.08 158.23 15.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.802 0.334 . . . . 0.0 110.833 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -155.55 126.41 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.895 HG21 ' HE2' ' A' ' 26' ' ' LYS . 10.0 p -92.03 148.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 t70 -150.8 143.46 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -98.8 126.91 44.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -79.44 164.82 23.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -44.46 -51.91 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -50.56 -43.74 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.19 26.64 2.0 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -99.15 139.65 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.895 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.7 tttt -95.94 115.11 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.0 p90 -124.33 143.95 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.424 ' CD1' HD21 ' A' ' 12' ' ' LEU . 20.3 m-85 -101.45 127.71 47.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.559 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.1 mt -100.55 135.0 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 27.7 t0 -104.82 109.89 22.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.29 -21.14 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -78.22 -36.54 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -109.39 -16.39 14.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ASP . 8.6 m-20 68.07 47.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -139.45 154.7 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.491 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.6 p -107.2 151.86 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.491 ' CD2' ' C ' ' A' ' 36' ' ' THR . 4.7 m-70 -143.91 127.32 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -66.16 -37.25 85.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -98.56 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -60.73 140.59 92.99 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.79 -23.75 30.32 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.874 0.281 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 mt -45.64 146.33 1.86 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.72 168.11 22.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.303 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.39 -12.03 7.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 41' ' ' PRO . 19.0 m95 -97.62 156.27 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.71 0.29 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -154.56 124.95 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.809 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.92 147.31 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 34.7 m-20 -149.1 144.57 26.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.5 m-90 -97.8 123.6 41.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 p -74.05 168.37 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.225 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.4 tpp -47.35 -57.32 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -45.98 -44.3 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.69 31.24 1.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -101.31 139.84 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HE2' HG21 ' A' ' 18' ' ' VAL . 31.2 tttt -95.92 116.21 28.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 20.1 p90 -128.9 150.39 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -104.26 133.29 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.457 HD11 ' CE2' ' A' ' 27' ' ' TYR . 19.9 mt -105.52 137.67 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' ASN . 24.4 t0 -106.26 110.14 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -79.34 -22.29 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -78.31 -34.95 48.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 p -110.39 -14.92 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER 66.87 45.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -141.96 150.25 41.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.52 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -104.52 154.03 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 36' ' ' THR . 3.0 m-70 -139.35 125.39 19.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -60.66 -38.68 85.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -102.58 158.1 16.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -57.61 140.67 80.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.588 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.79 -25.66 28.23 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.746 0.227 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' A' ' 40' ' ' HIS . 60.2 mt -49.05 146.24 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.77 168.76 20.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 107.9 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.34 -14.49 7.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.583 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.7 m95 -95.86 153.63 17.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 p -152.72 124.25 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.569 HG21 ' NZ ' ' A' ' 26' ' ' LYS . 9.8 p -92.02 146.15 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 24.9 m-20 -149.55 140.89 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -93.93 128.0 40.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 p -78.49 166.44 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 tpp -48.02 -49.15 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -52.93 -42.85 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.49 30.15 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.21 139.6 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 12.2 tttm -95.86 111.84 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.8 p90 -124.23 148.09 47.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.93 138.41 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -108.65 135.11 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 12.9 t0 -106.84 107.46 18.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -79.93 -21.09 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.76 -34.84 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.5 p -110.51 -16.61 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.9 m-20 70.01 43.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.5 p -141.82 153.27 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.541 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 4.1 p -106.38 161.6 14.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.541 ' CD2' ' C ' ' A' ' 36' ' ' THR . 12.0 m-70 -148.39 126.13 11.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 m -101.64 160.48 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.57 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.4 t-80 -66.43 140.61 96.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.717 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 -25.23 28.87 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.794 0.248 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' A' ' 40' ' ' HIS . 76.3 mt -42.52 144.3 0.99 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.82 169.04 19.91 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 103.8 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.236 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.77 1.03 8.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.598 ' CZ3' ' OD1' ' A' ' 30' ' ' ASP . 18.7 m95 -111.04 151.36 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -149.32 126.31 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.9 p -91.91 145.35 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.591 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -151.13 140.04 20.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.455 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.9 m-90 -96.24 128.28 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -83.08 168.98 16.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.0 mmt -44.54 -61.36 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -42.7 -40.14 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.77 25.15 3.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -97.44 139.54 33.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.4 ttmt -96.0 113.93 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.9 p90 -119.33 143.73 47.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.62 126.39 50.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.456 HD11 ' CE2' ' A' ' 27' ' ' TYR . 13.8 mt -96.83 136.2 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.598 ' OD1' ' CZ3' ' A' ' 16' ' ' TRP . 1.3 m-20 -105.22 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.32 -22.44 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.67 -34.17 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.4 p -114.43 -14.74 12.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' ASP . 39.4 t30 70.65 43.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p -141.48 149.79 41.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 p -99.41 163.94 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 61.5 m-70 -152.76 133.0 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.401 ' CZ3' ' HB3' ' A' ' 27' ' ' TYR . 54.3 m95 -71.52 -30.47 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -102.46 164.04 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -73.85 140.62 77.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.2 Cg_endo -69.75 -28.41 25.32 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.722 2.281 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.831 0.263 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 40' ' ' HIS . 66.1 mt -45.29 147.28 1.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.961 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.79 168.1 22.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 109.24 2.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.33 -11.74 8.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.576 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -97.97 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -156.61 128.02 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.488 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.0 p -92.2 149.44 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 m-20 -152.9 141.95 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.508 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.4 m-90 -96.04 127.96 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.2 p -78.93 164.59 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -57.03 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -46.56 -47.04 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.39 25.14 1.19 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.42 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -99.38 139.99 34.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.508 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -96.35 120.73 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.659 ' CE2' HD11 ' A' ' 29' ' ' ILE . 21.7 p90 -126.78 147.77 49.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -104.25 128.48 52.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.659 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -102.64 138.77 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.516 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 16.0 t0 -106.61 107.79 18.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -79.47 -15.96 56.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.95 -37.37 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.6 p -111.47 -17.58 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ASP . 11.9 t-20 72.17 48.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.5 p -141.31 153.44 45.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.448 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.9 p -107.83 153.06 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.448 ' CD2' ' C ' ' A' ' 36' ' ' THR . 8.6 m-70 -143.58 125.92 15.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -62.45 -37.75 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -99.17 163.99 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.4 t-80 -65.72 140.68 97.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 52.7 Cg_endo -69.88 -26.4 27.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.228 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.842 0.267 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 40' ' ' HIS . 73.8 mt -44.57 144.67 1.7 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.5 Cg_endo -69.79 167.9 23.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 109.28 2.26 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 122.725 2.284 . . . . 0.0 112.403 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.62 -15.6 7.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -93.7 158.78 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -154.38 124.81 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.0 p -92.1 147.04 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-20 -152.12 142.92 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.524 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.2 m-90 -95.49 127.81 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.1 p -79.04 167.78 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.0 mmm -46.46 -58.76 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -45.13 -42.17 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.29 27.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -101.13 140.93 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.97 119.5 34.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.0 p90 -126.19 145.03 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -102.21 132.98 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.448 HD11 ' CE2' ' A' ' 27' ' ' TYR . 14.6 mt -104.79 137.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.8 t0 -107.04 107.07 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -78.32 -23.64 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.77 -35.66 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.0 p -110.45 -16.91 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 m-20 69.55 46.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.5 p -141.87 154.84 45.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.459 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.3 p -106.13 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' A' ' 36' ' ' THR . 13.8 m-70 -144.87 124.97 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -61.11 -39.77 91.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -99.93 163.01 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -63.46 140.62 97.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.73 -24.12 30.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 120.781 0.242 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.95 147.49 0.42 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.74 167.51 24.21 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.38 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.55 -0.54 4.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -109.95 165.06 12.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -159.34 127.12 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.6 p -92.79 146.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 t70 -152.15 139.53 19.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.455 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.9 m-90 -91.9 132.32 36.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 p -81.29 165.72 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.0 mtp -47.84 -50.56 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -52.12 -40.85 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.97 23.67 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -99.96 140.49 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -95.95 119.59 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.6 p90 -126.05 147.03 49.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -102.47 139.65 37.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mt -111.63 135.51 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' ASN . 48.6 t0 -107.0 103.17 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -76.05 -11.65 59.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.98 -31.54 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -121.84 -5.41 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m120 59.81 50.51 6.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -139.8 153.49 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.555 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 1.8 p -104.91 157.97 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 36' ' ' THR . 18.6 m-70 -150.17 125.9 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -65.71 -33.66 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -102.47 160.27 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 9.7 t-80 -60.89 140.33 93.62 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.73 -10.92 29.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.817 0.257 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.5 mt -45.88 145.03 2.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.75 168.99 19.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.63 2.22 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.97 -9.24 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.587 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -100.62 157.06 16.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -154.33 124.67 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.915 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.2 p -92.01 145.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -149.39 145.86 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 29.9 m-90 -99.51 126.32 45.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -78.16 168.01 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -44.41 -60.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -43.23 -47.93 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.27 29.06 1.04 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -100.06 141.86 32.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.915 ' HE2' HG21 ' A' ' 18' ' ' VAL . 24.4 tttt -96.22 116.33 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 18.0 p90 -126.13 142.82 51.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -101.14 131.39 47.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.1 mt -101.7 135.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.454 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 28.9 t0 -107.14 106.12 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -79.7 -17.61 53.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.21 -37.37 57.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.9 p -114.09 -10.79 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.9 m-20 67.52 46.59 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -139.57 153.53 47.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.525 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -107.06 155.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.525 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.8 m-70 -144.69 125.3 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -62.27 -39.39 92.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -99.61 160.1 14.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.9 t-80 -60.56 140.57 92.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.547 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.83 -24.86 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.222 0 CA-C-O 120.851 0.271 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 28' ' ' TYR . 49.0 mt -42.62 147.51 0.61 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.76 168.58 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -0.84 8.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 30' ' ' ASP . 18.9 m95 -109.26 152.72 24.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -152.39 126.25 9.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.765 HG21 ' NZ ' ' A' ' 26' ' ' LYS . 7.9 p -91.9 151.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 17.1 t0 -155.64 145.68 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.507 ' CZ2' ' HE2' ' A' ' 26' ' ' LYS . 31.3 m-90 -100.42 129.12 46.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.3 p -83.22 168.71 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -44.11 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -44.44 -45.84 9.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.2 29.85 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -100.22 140.79 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.765 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 11.4 tttm -95.79 110.89 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 24.0 p90 -121.52 141.46 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CD2' HD21 ' A' ' 12' ' ' LEU . 34.9 m-85 -98.38 137.73 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 mt -106.99 137.43 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -107.02 108.55 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -78.01 -22.34 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.33 -33.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -110.96 -7.69 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' ASP . 7.1 m-20 59.07 42.06 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -139.96 153.16 46.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 p -102.21 163.08 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.582 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 60.8 m-70 -152.43 129.09 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 27' ' ' TYR . 52.9 m95 -67.79 -30.39 69.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -101.2 166.56 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -76.13 140.56 69.84 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.81 -27.59 26.04 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 31.5 p -86.18 137.4 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.859 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 11.7 t -38.22 -62.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.26 64.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.442 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p 43.98 41.54 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.976 0.417 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -71.03 -45.41 63.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.789 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.01 156.1 13.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' ASP . 2.9 mm-40 -119.98 20.62 12.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLU . 26.8 t70 36.83 38.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.3 mt -49.36 157.24 0.93 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.684 0.754 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 83.72 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.292 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 40' ' ' HIS . 70.0 mt -45.93 144.48 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.78 168.09 22.57 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 109.47 2.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.625 2.217 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.13 -12.05 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.407 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -97.01 156.99 16.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -153.79 125.68 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.897 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.5 p -92.2 147.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.579 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -151.62 144.74 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -98.36 128.68 44.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.8 p -77.82 166.55 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.9 mmt -46.71 -51.14 16.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -51.27 -51.33 55.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.01 28.89 0.64 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -102.45 140.89 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.897 ' HE2' HG21 ' A' ' 18' ' ' VAL . 23.7 tttt -96.16 117.18 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.3 p90 -125.88 143.75 50.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -100.76 133.18 45.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -106.35 136.41 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.532 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 17.7 t0 -106.97 108.91 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.67 -17.11 54.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' OD1' ' A' ' 30' ' ' ASP . 5.2 m-80 -77.8 -38.05 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.5 p -112.62 -12.43 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.1 m-20 66.65 49.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.05 153.97 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.493 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.3 p -107.62 155.23 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.6 m-70 -144.4 124.75 13.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.811 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -61.03 -40.88 95.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 p -103.0 155.1 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.8 t-80 -52.62 140.61 37.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.575 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.75 -19.81 35.69 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -91.85 -28.51 17.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CG ' ' HB3' ' A' ' 40' ' ' HIS . 8.9 mm-40 -60.4 -58.77 7.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 t -90.12 109.01 20.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 44.03 78.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.44 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -49.32 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.399 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m 46.9 42.85 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.816 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.6 t -96.27 -55.91 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.438 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' SER . 84.9 p -148.66 138.36 22.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 2' ' ' SER . 35.3 p -36.42 -54.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 135.26 -139.7 11.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLY . 39.1 m -36.76 101.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -135.58 170.09 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.68 71.29 0.13 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.556 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -92.24 100.85 13.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.334 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -99.25 46.06 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.8 mt -42.92 157.31 0.24 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 85.76 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.626 2.217 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.3 mt -48.91 147.44 4.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.78 168.31 21.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.754 2.303 . . . . 0.0 112.313 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 108.31 2.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.402 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.5 -12.41 7.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -97.5 156.16 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.5 m -154.47 127.3 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.781 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.6 p -91.99 146.58 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.584 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.6 t70 -151.09 140.36 21.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -92.62 128.59 38.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 p -79.8 168.47 19.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt -48.07 -54.74 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -48.34 -39.17 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.67 26.59 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -101.48 140.7 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.92 119.1 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.0 p90 -126.57 145.3 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -101.18 129.78 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' CE2' ' A' ' 27' ' ' TYR . 16.3 mt -103.28 137.17 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 26.0 t0 -106.78 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.33 -16.94 47.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -76.38 -39.73 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -111.1 -17.29 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 74.4 47.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.48 152.38 44.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.477 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.4 p -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.8 m-70 -141.98 125.94 17.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -61.11 -40.66 94.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -100.02 155.37 17.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.7 t-80 -53.27 140.75 43.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.577 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.86 -21.0 33.64 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.3 mt -91.43 -25.87 19.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 40' ' ' HIS . 16.9 mm-40 -70.25 -60.46 2.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t -91.1 83.34 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.82 -158.3 9.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.56 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 98.48 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.731 2.287 . . . . 0.0 112.406 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.1 p -102.23 146.79 27.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.3 p -126.26 112.75 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.521 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -156.02 107.62 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.91 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -66.21 -62.22 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.09 80.99 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 p -84.17 -56.64 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -92.78 134.08 35.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.55 -54.24 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -88.98 93.99 9.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -76.12 48.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.7 mt -42.63 157.12 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 87.28 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.287 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -47.24 146.69 2.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.676 0.75 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.73 168.07 22.58 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.423 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.33 -14.85 7.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.63 158.18 15.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -154.79 124.52 6.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.872 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.3 p -91.99 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 t70 -151.07 141.06 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -95.3 129.43 42.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.9 p -81.15 166.8 20.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.0 tpp -45.81 -57.71 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -45.92 -41.59 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.53 32.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -103.93 140.29 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.872 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.3 tttt -96.04 118.78 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 27.6 p90 -129.29 141.91 50.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.68 133.63 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.1 mt -104.59 137.76 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.453 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 18.0 t0 -106.97 107.21 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -79.93 -21.68 43.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.84 -35.48 57.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.2 p -109.31 -20.75 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' ASP . 12.4 m-80 74.78 45.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -141.36 154.8 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.509 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.4 p -106.32 155.45 19.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.1 m-70 -144.48 125.95 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -63.92 -38.83 92.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.5 m -98.76 163.24 12.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -62.94 140.57 97.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.552 0.691 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.72 -25.26 28.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt -86.4 -32.67 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.4 93.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -139.34 120.22 14.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.31 -93.85 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 109.87 2.41 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -81.37 151.23 28.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.1 t -120.88 139.59 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.5 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -102.75 118.99 38.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -124.01 102.39 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.54 154.75 8.71 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.445 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.4 t -97.14 -58.46 2.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.898 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 43.2 m -38.13 117.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.8 72.45 1.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -85.75 24.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t70 39.02 34.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 10' ' ' LEU . 14.4 mt -44.51 156.24 0.35 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.736 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 81.82 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 40' ' ' HIS . 75.9 mt -44.92 144.05 2.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.72 168.19 22.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 108.84 2.19 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.85 -14.59 7.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.591 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.8 155.63 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 p -152.75 124.31 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.933 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.98 148.38 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.4 t70 -151.94 145.19 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -98.28 127.73 44.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 p -79.21 167.66 20.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.2 tpp -47.33 -55.67 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -47.31 -43.06 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.44 31.83 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -105.22 141.31 36.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.933 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.8 tttt -95.88 118.4 32.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 19.1 p90 -127.92 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -98.56 133.65 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.76 136.58 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.546 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.0 t0 -107.02 108.16 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.41 -19.15 46.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -75.03 -38.79 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.7 p -110.08 -16.77 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 72.49 47.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 p -141.82 154.09 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.526 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -106.86 156.95 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.6 m-70 -145.37 125.21 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -61.18 -39.73 91.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -100.97 161.79 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.575 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.4 t-80 -63.08 140.59 97.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.587 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.73 -26.02 28.14 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -86.97 -31.14 20.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.04 -59.11 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.1 p -66.57 121.98 16.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.58 145.77 4.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 1.98 3.99 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.5 p -74.34 161.0 30.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.806 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.9 t -61.33 105.52 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.528 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -56.56 113.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -76.54 165.48 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.792 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.74 -148.7 38.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -94.85 107.95 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -91.5 104.01 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.09 165.32 34.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.442 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' ASP . 4.7 mm-40 -126.67 21.47 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' GLU . 25.0 t70 36.83 39.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.2 mt -51.36 157.17 1.75 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.631 0.729 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 82.37 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.503 HD23 ' CE1' ' A' ' 40' ' ' HIS . 72.9 mt -45.1 144.82 1.92 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.78 168.69 20.86 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.393 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 110.68 2.6 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.43 -15.2 8.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.434 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -94.07 153.82 17.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 p -151.89 126.3 9.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.95 HG21 ' HE2' ' A' ' 26' ' ' LYS . 7.3 p -92.06 147.91 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.6 t70 -150.13 144.5 25.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.3 m-90 -98.6 125.39 43.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.0 p -77.45 166.17 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.5 mtp -46.73 -54.66 9.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -48.03 -41.96 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.26 1.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -105.53 140.43 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.95 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.6 tttt -96.01 116.91 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 16.4 p90 -126.4 143.82 51.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -100.3 129.96 46.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.11 137.07 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.499 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.0 t0 -106.78 106.38 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -80.2 -20.22 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -74.6 -36.08 62.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.1 p -113.43 -14.39 12.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m-20 70.9 46.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p -141.94 152.23 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.501 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.7 p -105.98 154.53 20.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.501 ' CD2' ' C ' ' A' ' 36' ' ' THR . 6.6 m-70 -142.9 122.97 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -58.91 -41.07 86.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -97.14 164.24 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.4 t-80 -65.68 140.55 97.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.0 Cg_endo -69.75 -27.08 26.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt -86.03 -31.84 21.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -57.24 -57.0 14.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 p -141.49 172.34 12.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.04 151.92 8.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 102.15 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.398 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.3 t -100.22 -50.1 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -69.77 131.32 44.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -143.08 114.45 7.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -70.71 -54.28 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.18 53.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -152.17 121.87 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -46.34 -51.34 14.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.45 146.24 10.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' ASP . 5.1 mt-10 -85.51 23.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' GLU . 12.2 t0 37.2 38.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 10' ' ' LEU . 14.7 mt -50.94 156.29 1.74 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 82.51 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 40' ' ' HIS . 73.1 mt -46.85 144.99 3.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.3 Cg_endo -69.72 168.88 20.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 108.81 2.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.45 7.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.593 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.5 m95 -93.34 154.88 17.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.4 p -151.61 123.67 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.8 p -91.91 146.45 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.2 m-20 -152.45 143.85 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.6 m-90 -97.51 130.5 44.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.0 p -82.24 168.96 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.0 mtp -47.88 -54.68 11.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -48.39 -41.6 29.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.4 28.47 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -102.19 139.92 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.486 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -96.05 115.8 27.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 26.0 p90 -123.29 143.92 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -101.69 132.74 47.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 mt -104.18 136.39 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.551 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 11.8 t0 -107.02 107.96 19.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.36 -19.31 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -75.31 -37.99 60.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.8 p -110.54 -18.53 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 73.18 47.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.01 154.5 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.511 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.9 p -104.7 154.6 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 36' ' ' THR . 6.6 m-70 -144.83 123.53 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -62.15 -39.85 94.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.9 m -100.26 158.27 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.5 t-80 -62.17 140.63 96.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.78 -23.69 30.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.385 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.7 mt -85.58 -33.66 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.44 100.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 t -174.74 119.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.04 152.85 11.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -36.09 11.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.382 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -156.37 116.94 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -103.74 173.41 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -64.24 110.68 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m -73.12 131.96 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.36 -166.41 20.86 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.512 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 p -141.38 137.77 32.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 m -95.85 176.26 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.89 123.59 5.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.557 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -107.94 1.95 22.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 t0 39.6 32.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 10' ' ' LEU . 14.1 mt -39.0 157.01 0.12 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 83.45 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.386 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD23 ' CE1' ' A' ' 40' ' ' HIS . 65.6 mt -48.67 146.33 5.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.78 167.71 23.69 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 106.84 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.743 2.296 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.66 -15.28 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -94.52 159.38 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -154.02 124.92 7.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.12 146.04 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 t70 -150.69 139.88 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.445 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -97.28 127.61 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 p -78.5 168.42 19.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -52.34 19.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.38 -50.78 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.07 22.97 1.08 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -97.44 141.95 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 6.2 ttmt -98.08 115.5 28.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.8 p90 -122.43 144.02 49.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -103.57 131.1 51.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.8 mt -102.6 136.78 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.483 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 15.4 t0 -104.91 108.42 19.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.55 -22.46 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -77.91 -35.46 50.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -109.91 -16.07 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' ASP . 38.3 t30 67.03 47.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 p -141.18 154.48 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.46 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.6 p -104.58 154.12 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 36' ' ' THR . 10.9 m-70 -145.57 122.08 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -61.01 -39.25 89.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -98.63 158.77 15.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 6.9 t-80 -62.86 140.58 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.6 Cg_endo -69.82 -16.19 37.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.632 2.221 . . . . 0.0 112.337 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.4 mt -95.85 -25.66 15.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' CG ' ' HB3' ' A' ' 40' ' ' HIS . 23.7 mm-40 -60.64 -53.99 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -73.75 90.59 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.18 82.29 0.31 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 0.79 5.12 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.748 2.299 . . . . 0.0 112.291 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -91.38 -43.56 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 p -42.04 112.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -148.98 130.79 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -74.14 -48.87 26.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.53 80.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.554 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -48.11 108.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -168.36 142.07 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.22 86.01 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.447 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -85.22 94.78 8.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -77.88 46.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.3 mt -42.75 157.31 0.23 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.615 0.721 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 87.0 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.76 2.307 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 mt -47.14 145.52 3.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.76 169.14 19.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.637 2.225 . . . . 0.0 112.297 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 110.22 2.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.33 -16.49 8.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.3 m95 -92.78 155.04 17.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 p -152.4 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.852 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.88 147.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.526 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 10.4 t0 -150.99 146.63 26.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -100.05 125.72 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.3 p -79.0 166.99 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 tpt -41.67 -61.98 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -42.15 -49.43 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.17 23.95 1.35 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -95.24 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.852 ' HE2' HG21 ' A' ' 18' ' ' VAL . 21.6 tttt -97.34 117.07 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 14.7 p90 -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -99.73 130.6 45.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.42 137.69 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.528 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 14.1 t0 -106.93 107.36 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.17 -22.77 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.92 -34.5 62.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 p -111.61 -18.62 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ASP . 41.7 t30 73.85 43.6 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -142.08 151.4 42.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.515 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.9 p -104.07 154.17 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.515 ' CD2' ' C ' ' A' ' 36' ' ' THR . 3.2 m-70 -139.04 124.95 19.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -60.72 -39.34 88.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -100.06 165.02 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.8 t-80 -65.27 140.54 97.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.686 0.755 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.58 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.68 -28.13 26.01 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.763 2.308 . . . . 0.0 112.357 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.4 mt -84.7 -32.34 23.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -58.52 99.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -169.12 127.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.53 -95.04 0.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.444 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.79 65.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.5 m -109.87 -45.33 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -88.62 42.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -81.74 -57.84 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.887 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -99.95 104.53 16.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.63 -142.02 9.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m 53.37 43.48 31.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.905 0.383 . . . . 0.0 110.925 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -98.06 -34.3 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.92 105.86 2.99 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASP . 8.7 mt-10 -90.78 23.84 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' GLU . 6.0 t70 37.99 36.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.59 157.11 1.02 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 84.51 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.744 2.296 . . . . 0.0 112.328 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.54 HD23 ' NE2' ' A' ' 40' ' ' HIS . 72.1 mt -44.94 144.13 2.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.0 Cg_endo -69.7 168.46 21.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 106.88 1.72 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.43 -16.05 6.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -93.75 158.19 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -154.07 126.33 7.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.95 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.3 m-20 -150.61 138.96 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.464 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 28.9 m-90 -96.05 128.5 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.5 p -81.52 168.85 17.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.5 tpp -46.87 -58.97 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -44.09 -41.72 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.0 28.47 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -101.4 139.13 37.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.3 ttmt -96.02 116.28 28.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.2 p90 -123.07 145.16 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -103.97 126.93 51.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -98.5 135.19 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.514 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 20.1 t0 -104.19 108.17 19.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -81.2 -20.38 41.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -74.9 -37.63 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.8 p -112.09 -15.08 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' ASP . 50.7 t-20 70.08 49.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -142.06 153.19 44.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.52 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.1 p -104.06 152.29 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.0 m-70 -145.71 122.21 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -96.22 165.69 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.54 ' NE2' HD23 ' A' ' 12' ' ' LEU . 8.6 t-80 -70.37 140.63 87.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 54.0 Cg_endo -69.72 -23.76 30.61 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -85.17 -33.26 22.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.58 -58.1 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -88.86 109.91 20.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.32 72.61 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.06 4.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.623 2.215 . . . . 0.0 112.32 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.7 m -73.88 113.08 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.4 t -80.34 -47.3 14.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m 51.65 42.08 29.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.943 0.401 . . . . 0.0 110.921 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t 64.35 42.32 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.927 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.64 -162.87 29.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -118.13 -53.77 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -46.4 121.94 3.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.35 -122.61 2.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.14 94.09 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -76.25 48.28 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.4 mt -41.35 157.4 0.2 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 85.84 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.623 2.216 . . . . 0.0 112.362 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -41.0 147.47 0.42 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.75 167.54 24.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 106.12 1.61 Allowed 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.49 -15.47 6.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.6 m95 -93.96 159.73 15.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -153.48 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.7 p -91.95 147.05 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.9 t0 -151.1 139.74 20.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.46 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.3 m-90 -96.04 127.7 42.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -81.87 168.07 18.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.8 mtm -45.58 -58.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -43.92 -42.13 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.05 26.32 2.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -99.75 139.65 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.2 ttmt -96.41 114.03 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.645 ' CE2' HD11 ' A' ' 29' ' ' ILE . 20.2 p90 -120.52 144.2 48.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -102.19 129.85 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.645 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -102.95 137.56 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.513 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 15.5 t0 -105.6 111.79 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.4 -20.3 37.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -74.67 -38.38 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.0 p -111.02 -18.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 74.07 47.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -141.7 150.59 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.51 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 6.8 p -103.61 154.94 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.241 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.51 ' CD2' ' C ' ' A' ' 36' ' ' THR . 7.2 m-70 -144.38 125.46 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -61.38 -41.09 96.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -97.17 157.85 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.3 t-80 -57.0 140.6 77.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.4 Cg_endo -69.68 -17.93 37.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.429 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -92.14 -27.32 17.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -68.25 -58.51 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 m -85.54 88.43 7.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.72 65.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 -177.33 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.248 . . . . 0.0 112.342 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -121.77 126.19 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -109.7 42.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 23.9 p -142.21 156.2 45.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.0 t -37.5 106.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.1 -172.71 44.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.6 p -104.25 168.48 9.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -117.74 -54.78 2.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.24 53.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.05 100.99 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -83.91 36.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.3 mt -45.63 157.37 0.38 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.614 0.721 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 82.15 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.447 HD23 ' CE1' ' A' ' 40' ' ' HIS . 57.1 mt -47.17 146.55 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.6 Cg_endo -69.81 167.96 23.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 106.82 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.76 -14.9 6.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -95.19 156.23 16.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -153.03 125.81 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.487 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.6 p -91.95 151.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.547 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.2 m-20 -156.14 142.03 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.53 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.7 m-90 -94.27 130.79 40.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -80.64 165.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.434 ' HB2' ' NH2' ' A' ' 23' ' ' ARG . 22.1 mtp -43.77 -58.93 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' NH2' ' HB2' ' A' ' 22' ' ' MET . 0.0 OUTLIER -45.56 -49.14 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.31 26.16 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -100.08 139.27 35.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -95.9 119.79 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 22.7 p90 -126.15 147.38 49.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -103.9 130.16 51.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 27' ' ' TYR . 16.5 mt -102.18 137.02 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 19.7 t0 -106.12 108.91 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -80.28 -21.14 43.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -76.8 -35.22 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -111.92 -15.19 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' ASP . 16.5 m-20 69.66 44.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -141.87 151.42 42.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -105.97 155.41 19.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -140.5 127.02 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -60.19 -41.6 93.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -102.25 156.45 17.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 7.5 t-80 -55.89 140.6 68.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.69 0.757 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.572 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 52.8 Cg_endo -69.74 -16.63 37.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 mt -94.48 -28.61 15.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -59.25 -56.66 19.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.8 t -161.54 158.26 26.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.94 146.46 4.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 2.73 3.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.1 p -90.69 169.86 10.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -133.7 120.68 20.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLY . 70.2 p 36.01 42.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.867 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -60.12 126.84 29.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.79 -57.73 0.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -163.83 117.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.924 0.392 . . . . 0.0 110.775 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 m -42.4 -44.35 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.95 136.04 3.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.551 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.484 ' OE1' HD21 ' A' ' 10' ' ' LEU . 6.2 pt-20 -108.17 -0.3 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' GLU . 13.4 t70 34.44 43.24 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.484 HD21 ' OE1' ' A' ' 8' ' ' GLU . 10.3 mt -37.68 153.58 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.72 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 28' ' ' TYR . 30.7 mt -47.39 149.44 1.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.74 167.71 23.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.392 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.59 1.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.26 -10.2 7.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 18.9 m95 -100.08 158.23 15.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.802 0.334 . . . . 0.0 110.833 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -155.55 126.41 6.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.895 HG21 ' HE2' ' A' ' 26' ' ' LYS . 10.0 p -92.03 148.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 t70 -150.8 143.46 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -98.8 126.91 44.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -79.44 164.82 23.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.9 tpt -44.46 -51.91 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -50.56 -43.74 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.19 26.64 2.0 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -99.15 139.65 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.895 ' HE2' HG21 ' A' ' 18' ' ' VAL . 20.7 tttt -95.94 115.11 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 21.0 p90 -124.33 143.95 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.424 ' CD1' HD21 ' A' ' 12' ' ' LEU . 20.3 m-85 -101.45 127.71 47.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.559 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.1 mt -100.55 135.0 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 27.7 t0 -104.82 109.89 22.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.29 -21.14 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -78.22 -36.54 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -109.39 -16.39 14.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ASP . 8.6 m-20 68.07 47.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -139.45 154.7 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.491 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 2.6 p -107.2 151.86 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.491 ' CD2' ' C ' ' A' ' 36' ' ' THR . 4.7 m-70 -143.91 127.32 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -66.16 -37.25 85.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m -98.56 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -60.73 140.59 92.99 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.79 -23.75 30.32 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -88.36 -30.04 19.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -66.6 -45.48 79.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 p -62.59 122.0 14.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.19 160.35 27.24 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -23.6 30.6 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p 42.1 42.14 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.793 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.9 t -76.97 -59.28 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -73.72 164.57 26.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -44.26 114.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.05 -47.9 83.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -95.31 122.94 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.4 . . . . 0.0 110.886 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -152.54 135.03 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.63 159.04 10.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -78.22 96.61 5.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -78.55 45.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.3 mt -47.61 157.36 0.58 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.55 0.69 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 85.31 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 mt -45.64 146.33 1.86 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.72 168.11 22.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.303 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.39 -12.03 7.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 41' ' ' PRO . 19.0 m95 -97.62 156.27 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.71 0.29 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -154.56 124.95 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.809 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.8 p -91.92 147.31 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 34.7 m-20 -149.1 144.57 26.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.5 m-90 -97.8 123.6 41.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 p -74.05 168.37 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.225 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.4 tpp -47.35 -57.32 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -45.98 -44.3 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.69 31.24 1.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -101.31 139.84 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HE2' HG21 ' A' ' 18' ' ' VAL . 31.2 tttt -95.92 116.21 28.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 20.1 p90 -128.9 150.39 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -104.26 133.29 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.457 HD11 ' CE2' ' A' ' 27' ' ' TYR . 19.9 mt -105.52 137.67 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' ASN . 24.4 t0 -106.26 110.14 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -79.34 -22.29 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -78.31 -34.95 48.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 p -110.39 -14.92 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER 66.87 45.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -141.96 150.25 41.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.52 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -104.52 154.03 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 36' ' ' THR . 3.0 m-70 -139.35 125.39 19.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -60.66 -38.68 85.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -102.58 158.1 16.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -57.61 140.67 80.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.588 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.79 -25.66 28.23 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.5 mt -85.63 -33.03 21.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.33 98.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -161.77 161.15 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.52 -170.12 40.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -4.99 15.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.643 2.228 . . . . 0.0 112.327 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 61.87 42.16 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 m -118.07 42.09 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -172.33 155.68 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m -50.65 140.05 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.89 165.26 12.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -91.13 177.69 6.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -115.46 127.04 55.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.64 -144.4 0.75 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 9' ' ' ASP . 1.7 pm0 -121.72 1.04 9.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.0 110.854 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' GLU . 42.3 t0 34.43 42.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 10' ' ' LEU . 13.5 mt -36.85 155.46 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 83.9 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' A' ' 40' ' ' HIS . 60.2 mt -49.05 146.24 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.77 168.76 20.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 107.9 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.34 -14.49 7.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.583 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.7 m95 -95.86 153.63 17.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 p -152.72 124.25 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.569 HG21 ' NZ ' ' A' ' 26' ' ' LYS . 9.8 p -92.02 146.15 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 24.9 m-20 -149.55 140.89 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -93.93 128.0 40.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 p -78.49 166.44 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 tpp -48.02 -49.15 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -52.93 -42.85 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.49 30.15 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.21 139.6 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 12.2 tttm -95.86 111.84 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.8 p90 -124.23 148.09 47.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.93 138.41 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -108.65 135.11 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 12.9 t0 -106.84 107.46 18.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -79.93 -21.09 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.76 -34.84 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.5 p -110.51 -16.61 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.9 m-20 70.01 43.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.5 p -141.82 153.27 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.541 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 4.1 p -106.38 161.6 14.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.541 ' CD2' ' C ' ' A' ' 36' ' ' THR . 12.0 m-70 -148.39 126.13 11.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 m -101.64 160.48 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.57 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.4 t-80 -66.43 140.61 96.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.717 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 -25.23 28.87 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt -84.68 -33.68 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.66 -42.37 83.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.9 p -57.69 143.37 41.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.01 -172.87 35.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 2.27 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 62.38 43.46 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -118.72 149.96 40.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.407 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -103.39 123.82 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 61.58 42.24 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.84 -148.89 20.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -171.72 159.17 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.823 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m -94.31 -44.27 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.44 130.35 1.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.422 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' ASP . 7.8 pt-20 -125.84 1.23 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' GLU . 39.6 t0 34.42 42.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 10' ' ' LEU . 14.0 mt -37.46 156.21 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.699 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 80.52 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' A' ' 40' ' ' HIS . 76.3 mt -42.52 144.3 0.99 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.5 Cg_endo -69.82 169.04 19.91 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 103.8 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.236 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.77 1.03 8.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.598 ' CZ3' ' OD1' ' A' ' 30' ' ' ASP . 18.7 m95 -111.04 151.36 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -149.32 126.31 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.9 p -91.91 145.35 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.591 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -151.13 140.04 20.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.455 ' NE1' ' HB2' ' A' ' 26' ' ' LYS . 29.9 m-90 -96.24 128.28 43.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -83.08 168.98 16.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.0 mmt -44.54 -61.36 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -42.7 -40.14 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.77 25.15 3.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -97.44 139.54 33.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 5.4 ttmt -96.0 113.93 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 23.9 p90 -119.33 143.73 47.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.62 126.39 50.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.456 HD11 ' CE2' ' A' ' 27' ' ' TYR . 13.8 mt -96.83 136.2 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.598 ' OD1' ' CZ3' ' A' ' 16' ' ' TRP . 1.3 m-20 -105.22 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.32 -22.44 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.67 -34.17 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.4 p -114.43 -14.74 12.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' ASP . 39.4 t30 70.65 43.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p -141.48 149.79 41.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 p -99.41 163.94 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 61.5 m-70 -152.76 133.0 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.401 ' CZ3' ' HB3' ' A' ' 27' ' ' TYR . 54.3 m95 -71.52 -30.47 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -102.46 164.04 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -73.85 140.62 77.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 53.2 Cg_endo -69.75 -28.41 25.32 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.722 2.281 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.53 -29.38 24.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.69 -63.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 t -71.3 158.84 35.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.76 166.17 35.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.73 4.14 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.2 m -91.04 122.08 33.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.1 t -148.64 142.45 25.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.419 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -49.37 124.79 9.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 m -140.98 160.31 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.83 174.38 25.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.434 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -48.54 -61.4 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -73.86 162.41 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.2 -36.24 2.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.15 98.46 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -85.56 37.1 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 mt -42.5 156.61 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.651 0.738 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 85.58 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 40' ' ' HIS . 66.1 mt -45.29 147.28 1.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.961 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.8 Cg_endo -69.79 168.1 22.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 109.24 2.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.33 -11.74 8.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.576 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -97.97 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -156.61 128.02 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.488 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.0 p -92.2 149.44 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 m-20 -152.9 141.95 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.508 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.4 m-90 -96.04 127.96 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.2 p -78.93 164.59 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -57.03 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -46.56 -47.04 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.39 25.14 1.19 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.42 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -99.38 139.99 34.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.508 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -96.35 120.73 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.659 ' CE2' HD11 ' A' ' 29' ' ' ILE . 21.7 p90 -126.78 147.77 49.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -104.25 128.48 52.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.659 HD11 ' CE2' ' A' ' 27' ' ' TYR . 17.5 mt -102.64 138.77 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.516 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 16.0 t0 -106.61 107.79 18.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -79.47 -15.96 56.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.95 -37.37 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.6 p -111.47 -17.58 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ASP . 11.9 t-20 72.17 48.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.5 p -141.31 153.44 45.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.448 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.9 p -107.83 153.06 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.448 ' CD2' ' C ' ' A' ' 36' ' ' THR . 8.6 m-70 -143.58 125.92 15.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -62.45 -37.75 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -99.17 163.99 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.4 t-80 -65.72 140.68 97.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 40' ' ' HIS . 52.7 Cg_endo -69.88 -26.4 27.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.228 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -85.63 -31.3 22.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.97 -58.62 7.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -129.65 124.84 34.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.008 0.432 . . . . 0.0 110.791 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.42 146.25 4.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 157.41 60.51 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.0 p -95.57 79.59 3.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -107.91 105.87 15.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -134.54 142.7 47.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -103.53 -51.87 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.19 84.57 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -41.9 139.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -116.45 -56.49 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.66 144.81 0.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -117.91 23.48 11.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 37.95 37.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 15.2 mt -46.1 157.21 0.42 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.607 0.717 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 82.74 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.702 2.268 . . . . 0.0 112.359 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 40' ' ' HIS . 73.8 mt -44.57 144.67 1.7 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 52.5 Cg_endo -69.79 167.9 23.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 109.28 2.26 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 122.725 2.284 . . . . 0.0 112.403 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.62 -15.6 7.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.6 m95 -93.7 158.78 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -154.38 124.81 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 10.0 p -92.1 147.04 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-20 -152.12 142.92 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.524 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.2 m-90 -95.49 127.81 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.1 p -79.04 167.78 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.0 mmm -46.46 -58.76 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -45.13 -42.17 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.29 27.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -101.13 140.93 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -95.97 119.5 34.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 25.0 p90 -126.19 145.03 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -102.21 132.98 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.448 HD11 ' CE2' ' A' ' 27' ' ' TYR . 14.6 mt -104.79 137.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.8 t0 -107.04 107.07 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -78.32 -23.64 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.77 -35.66 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.0 p -110.45 -16.91 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 m-20 69.55 46.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.5 p -141.87 154.84 45.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.459 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 5.3 p -106.13 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' A' ' 36' ' ' THR . 13.8 m-70 -144.87 124.97 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -61.11 -39.77 91.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -99.93 163.01 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -63.46 140.62 97.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 54.1 Cg_endo -69.73 -24.12 30.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.9 mt -85.18 -31.98 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.48 -44.44 74.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.0 p -56.02 -50.97 69.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.61 83.36 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 169.25 19.27 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.757 2.305 . . . . 0.0 112.374 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -49.88 127.58 16.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 t -70.56 -54.2 13.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 p -83.07 174.33 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -69.98 158.36 35.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.89 99.12 0.82 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -135.17 134.05 39.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t 65.94 41.64 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.79 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.14 116.58 0.61 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -129.81 18.35 5.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 t0 42.52 36.02 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.3 mt -45.66 156.38 0.43 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 84.96 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.41 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.95 147.49 0.42 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 54.2 Cg_endo -69.74 167.51 24.21 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.38 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.55 -0.54 4.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.1 m95 -109.95 165.06 12.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -159.34 127.12 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 9.6 p -92.79 146.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 t70 -152.15 139.53 19.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.455 ' CZ2' ' HE3' ' A' ' 26' ' ' LYS . 30.9 m-90 -91.9 132.32 36.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 p -81.29 165.72 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.0 mtp -47.84 -50.56 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -52.12 -40.85 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.97 23.67 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -99.96 140.49 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HG2' ' CG2' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -95.95 119.59 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 28.6 p90 -126.05 147.03 49.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -102.47 139.65 37.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mt -111.63 135.51 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' ASN . 48.6 t0 -107.0 103.17 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -76.05 -11.65 59.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.98 -31.54 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -121.84 -5.41 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' ASP . 2.5 m120 59.81 50.51 6.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -139.8 153.49 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.555 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 1.8 p -104.91 157.97 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 36' ' ' THR . 18.6 m-70 -150.17 125.9 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -65.71 -33.66 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -102.47 160.27 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 9.7 t-80 -60.89 140.33 93.62 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.9 Cg_endo -69.73 -10.92 29.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 mt -102.8 -11.46 18.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -90.06 91.83 8.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 t -148.61 148.7 30.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.03 83.17 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -11.82 31.68 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -83.11 157.9 22.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 m -148.91 165.19 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -164.17 147.35 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -118.88 159.63 23.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.61 74.42 0.23 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.532 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 m -105.0 -57.4 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -150.3 112.68 4.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 9' ' ' ASP . . . -160.9 -42.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' ASP . 2.3 mm-40 39.87 27.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' GLY . 4.3 t70 36.29 40.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 14.9 mt -46.7 157.12 0.47 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.561 0.696 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 84.2 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.5 mt -45.88 145.03 2.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.7 Cg_endo -69.75 168.99 19.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.63 2.22 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.97 -9.24 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.587 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 19.4 m95 -100.62 157.06 16.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -154.33 124.67 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.915 HG21 ' HE2' ' A' ' 26' ' ' LYS . 9.2 p -92.01 145.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 3.3 m-20 -149.39 145.86 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 29.9 m-90 -99.51 126.32 45.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -78.16 168.01 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -44.41 -60.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -43.23 -47.93 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.27 29.06 1.04 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -100.06 141.86 32.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.915 ' HE2' HG21 ' A' ' 18' ' ' VAL . 24.4 tttt -96.22 116.33 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 18.0 p90 -126.13 142.82 51.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -101.14 131.39 47.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.1 mt -101.7 135.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.454 ' OD2' ' CZ2' ' A' ' 16' ' ' TRP . 28.9 t0 -107.14 106.12 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -79.7 -17.61 53.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -76.21 -37.37 57.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.9 p -114.09 -10.79 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' ASP . 1.9 m-20 67.52 46.59 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -139.57 153.53 47.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.525 ' C ' ' CD2' ' A' ' 37' ' ' HIS . 3.2 p -107.06 155.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.525 ' CD2' ' C ' ' A' ' 36' ' ' THR . 5.8 m-70 -144.69 125.3 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -62.27 -39.39 92.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -99.61 160.1 14.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 8.9 t-80 -60.56 140.57 92.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.547 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.83 -24.86 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.8 mt -87.47 -32.05 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.49 -47.2 87.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.0 t -137.57 135.62 36.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.89 147.27 5.54 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -13.75 35.37 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -118.19 131.1 56.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -46.11 -47.84 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -114.4 -59.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -71.95 92.01 1.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.74 78.4 0.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 p -162.16 137.28 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -110.25 143.36 40.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.73 152.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -114.87 2.52 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 t70 39.33 33.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 10' ' ' LEU . 12.5 mt -39.0 154.45 0.15 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.516 0.674 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.63 80.19 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 28' ' ' TYR . 49.0 mt -42.62 147.51 0.61 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 53.1 Cg_endo -69.76 168.58 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.13 -0.84 8.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 30' ' ' ASP . 18.9 m95 -109.26 152.72 24.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -152.39 126.25 9.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.765 HG21 ' NZ ' ' A' ' 26' ' ' LYS . 7.9 p -91.9 151.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 17.1 t0 -155.64 145.68 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.507 ' CZ2' ' HE2' ' A' ' 26' ' ' LYS . 31.3 m-90 -100.42 129.12 46.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.3 p -83.22 168.71 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -44.11 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -44.44 -45.84 9.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.2 29.85 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -100.22 140.79 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.765 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 11.4 tttm -95.79 110.89 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 24.0 p90 -121.52 141.46 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CD2' HD21 ' A' ' 12' ' ' LEU . 34.9 m-85 -98.38 137.73 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 mt -106.99 137.43 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -107.02 108.55 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -78.01 -22.34 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.33 -33.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -110.96 -7.69 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' ASP . 7.1 m-20 59.07 42.06 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.7 p -139.96 153.16 46.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 p -102.21 163.08 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.582 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 60.8 m-70 -152.43 129.09 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 27' ' ' TYR . 52.9 m95 -67.79 -30.39 69.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -101.2 166.56 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 41' ' ' PRO . 8.6 t-80 -76.13 140.56 69.84 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HB3' ' CH2' ' A' ' 16' ' ' TRP . 53.4 Cg_endo -69.81 -27.59 26.04 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -85.65 -29.26 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.43 -58.86 6.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.2 t -129.91 113.48 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.94 -89.87 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.39 34.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.393 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 t -71.7 132.62 44.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.791 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -112.55 -53.56 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.409 -179.994 . . . . . . . . 0 0 . 1 stop_ save_