data_5x6t_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 5x6t _Structure_validation_residue.Date_analyzed 2017-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.789 0.328 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.81 66.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.42 HG23 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -118.8 140.98 49.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.466 ' N ' HD23 ' A' ' 12' ' ' LEU . 9.0 t -41.62 153.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.63 5.26 39.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 9.3 mmm180 -123.33 -35.33 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.82 -10.28 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.42 ' C ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 55.71 58.46 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -117.01 153.75 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 135.5 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 5' ' ' CYS . 0.3 OUTLIER -93.74 -44.22 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 36.73 -111.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -76.6 52.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -107.69 -36.91 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER 82.69 80.73 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 0.96 4.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.76 -32.67 73.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.81 0.89 2.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 5.3 m-20 -90.97 42.23 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' CYS . 97.6 m -126.51 107.88 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 35.5 t -36.72 126.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -77.32 -1.55 30.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.82 13.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 85.4 m -125.35 -32.63 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 81.54 14.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -108.06 169.65 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 mt -81.91 149.55 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.91 112.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.436 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 26.2 p -48.82 177.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.59 21.12 1.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -125.11 -13.58 6.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.4 m -106.85 8.64 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -103.67 140.77 37.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' HB ' ' CB ' ' A' ' 48' ' ' ALA . 1.7 mp -113.48 111.19 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.95 103.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -77.14 138.6 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -51.74 -20.75 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.1 p30 -78.69 -158.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.02 45.42 1.58 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 42' ' ' TRP . 1.6 t -167.92 -158.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.19 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.458 ' N ' ' CG2' ' A' ' 41' ' ' THR . 37.3 p-90 -146.43 152.93 39.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -136.29 134.43 37.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 p -42.99 166.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -66.12 -19.19 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.9 t -83.99 -20.2 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.62 -50.01 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . . . -65.58 -17.18 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.757 0.313 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.57 73.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.404 HG21 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -120.63 146.77 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.416 ' N ' HD22 ' A' ' 12' ' ' LEU . 36.9 t -53.64 147.42 11.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.69 8.77 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 2.6 mmm-85 -127.33 -44.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 m -101.05 -22.88 14.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' C ' HG21 ' A' ' 4' ' ' THR . 0.4 OUTLIER 66.73 30.37 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.67 140.95 36.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t -46.1 142.01 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -88.54 26.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' LEU . . . -56.66 150.62 26.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.9 27.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -117.04 -10.41 10.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.448 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 59.35 74.27 0.6 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.09 6.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.6 -41.23 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 t -136.74 64.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 16' ' ' SER . 76.3 m-20 -135.33 12.29 3.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -89.5 106.87 18.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 t -42.69 133.2 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -83.7 -0.97 53.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.25 -42.71 3.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 3.4 p -111.93 -18.9 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 78.49 26.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 51.0 m-70 -114.3 158.8 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.412 ' C ' HG23 ' A' ' 29' ' ' VAL . 12.7 mt -74.45 150.09 40.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -153.65 119.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -51.23 -177.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 5.3 ptt180 -85.86 15.79 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -122.63 -15.04 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.4 m -102.34 10.41 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.2 mtt180 -98.95 137.51 37.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 1.6 mp -109.56 107.05 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.547 ' NE2' ' N ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -49.81 109.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.6 -0.76 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 44.07 74.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -174.12 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.62 -15.67 0.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 42' ' ' TRP . 6.4 t -125.82 -160.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.458 ' N ' HG23 ' A' ' 41' ' ' THR . 62.3 p-90 -159.77 159.99 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.13 133.17 21.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.8 p -45.88 171.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 1.5 mtpt -74.12 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 6.5 t -92.48 -20.94 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.0 m -100.0 -43.83 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.84 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 61.9 m-20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER 82.68 67.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -114.86 144.97 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.164 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.426 ' N ' HD22 ' A' ' 12' ' ' LEU . 17.8 t -56.63 144.23 32.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -87.44 1.18 54.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 6' ' ' ALA . 7.5 mmm180 -123.31 -35.05 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.91 -25.8 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.27 36.35 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.457 ' N ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -114.51 154.48 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -52.74 139.68 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -90.22 -35.57 15.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.51 -125.19 5.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 76.0 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -127.21 -29.83 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.21 80.87 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.678 0.751 . . . . 0.0 110.811 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -7.58 21.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.99 -6.73 23.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.99 14.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' CG ' ' NH2' ' A' ' 34' ' ' ARG . 3.6 m-20 -114.82 26.87 9.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.1 m -109.0 103.87 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -41.77 130.84 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.42 -12.76 59.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.49 -11.67 40.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 96.8 m -127.48 -33.05 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 81.34 20.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -113.21 162.49 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.4 mt -74.86 151.06 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.33 117.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -48.89 176.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.64 19.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -126.43 -8.64 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.36 10.88 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' CG ' ' A' ' 20' ' ' ASN . 4.4 mtt180 -105.49 137.97 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 mp -109.26 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -50.98 122.59 7.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.63 122.72 46.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -42.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -38.93 -40.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.54 4.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t -116.05 -160.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.192 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.3 p-90 -149.26 154.91 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' CYS . 1.3 mmm-85 -144.71 132.65 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' ARG . 10.0 p -38.29 157.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -58.19 -23.16 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -80.09 -20.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.3 m -98.9 -50.74 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -26.02 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.76 0.314 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 80.3 67.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.415 HG21 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.95 147.77 35.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.7 t -56.73 145.89 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.47 2.75 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 7.1 mmm180 -122.81 -39.75 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.8 m -101.82 -24.7 14.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.415 ' C ' HG21 ' A' ' 4' ' ' THR . 0.0 OUTLIER 66.02 29.64 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.98 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.408 ' C ' HG21 ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.63 153.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 t -56.4 140.1 46.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -86.55 -37.97 17.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.94 -121.72 17.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.87 60.92 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -114.2 -26.26 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.9 t 80.7 80.66 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.411 ' CB ' HD22 ' A' ' 28' ' ' LEU . 54.0 Cg_endo -69.77 -6.88 19.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.246 . . . . 0.0 112.412 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -22.71 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -131.1 17.98 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.482 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 15.1 m-20 -114.96 7.0 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.7 m -87.47 98.36 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -38.52 127.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.32 7.94 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.98 -48.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.7 p -107.15 -20.12 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 3.1 m-80 77.85 34.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -122.14 162.0 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 17' ' ' PRO . 40.1 mt -75.9 144.83 40.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.62 117.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.3 p -48.03 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 19.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.98 -13.43 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 92.1 m -104.23 9.76 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.482 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 2.9 mtt180 -100.97 137.38 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.54 104.81 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 114.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.15 171.23 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.34 5.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -96.82 17.47 16.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.28 12.27 84.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 t -135.32 -160.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 111.063 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -146.07 157.19 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.29 129.43 18.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.7 p -41.73 163.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -69.37 -6.54 30.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.19 -18.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.5 m -106.26 -32.26 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.08 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 1.6 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.82 64.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -114.01 146.19 40.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' N ' HD22 ' A' ' 12' ' ' LEU . 34.6 t -57.8 148.46 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.15 6.23 40.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.497 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 3.6 mmm-85 -128.27 -39.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 m -101.77 -21.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.42 ' C ' HG22 ' A' ' 4' ' ' THR . 2.3 mt-30 59.78 33.51 21.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 4' ' ' THR . 4.9 mt-10 -110.78 144.55 39.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -40.94 143.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -95.94 -31.08 13.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 35.1 -119.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -73.21 67.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.799 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -120.28 -36.36 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.2 t 82.71 80.81 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -0.93 7.64 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.226 . . . . 0.0 112.407 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -59.53 -36.82 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.43 0.83 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.546 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 7.2 m-20 -86.85 30.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -116.6 102.47 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -37.55 127.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 10.8 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.78 -48.54 1.02 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.8 p -105.81 -20.69 13.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER 79.79 32.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -121.34 160.45 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 97.0 mt -75.73 151.13 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.94 118.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -47.72 174.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.3 16.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.01 -11.51 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 65.7 m -106.01 13.38 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.546 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 1.1 mtt180 -104.57 138.64 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.62 118.09 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.501 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -57.53 109.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.96 151.66 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.62 16.83 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -101.21 -3.74 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 15.59 25.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.1 t -149.21 -158.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.131 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 -144.82 153.92 42.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.02 140.77 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -48.85 163.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -67.42 -8.5 33.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.497 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 15.4 t -96.0 -18.26 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.18 -31.67 8.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.68 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.061 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 14.4 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER 77.27 64.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.412 HG21 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -116.24 148.59 40.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' N ' HD21 ' A' ' 12' ' ' LEU . 19.0 t -60.2 146.01 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.67 0.88 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.462 ' NE ' HG21 ' A' ' 46' ' ' VAL . 15.3 mmm180 -121.41 -35.47 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.0 m -105.33 -22.82 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.412 ' C ' HG21 ' A' ' 4' ' ' THR . 0.3 OUTLIER 62.81 31.66 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.18 161.28 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 p -62.03 139.91 58.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -89.13 31.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.63 123.31 2.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 35.05 67.33 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.505 ' CD2' ' ND2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -124.21 -26.88 3.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.6 t 82.69 78.48 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.636 0.731 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 3' ' ' ARG . 53.4 Cg_endo -69.77 -1.22 8.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -75.64 -17.41 60.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.52 20.28 2.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 15' ' ' LEU . 16.1 m-20 -114.03 18.62 17.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -100.9 96.19 7.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -39.12 125.03 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 2.72 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.52 -11.61 10.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 93.5 m -125.99 -29.71 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.4 m120 81.46 13.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -113.18 165.27 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 66.2 mt -76.59 154.35 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.12 118.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.7 p -49.05 172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.427 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 30.7 ptt180 -79.66 9.91 4.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.3 -14.55 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.9 m -103.83 3.14 33.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 4.3 mtm180 -94.57 133.57 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.463 ' CG2' ' CB ' ' A' ' 48' ' ' ALA . 1.4 mp -111.63 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -48.66 118.06 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -94.63 164.94 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 m -94.6 20.51 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.48 1.99 18.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.4 62.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.446 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -118.65 -159.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.725 0.297 . . . . 0.0 111.114 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -145.93 155.52 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -143.41 137.45 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.5 p -42.04 163.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 2.2 mtpt -64.27 -15.27 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.462 HG21 ' NE ' ' A' ' 7' ' ' ARG . 16.2 t -90.81 -18.04 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 4.2 m -98.46 -44.84 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.463 ' CB ' ' CG2' ' A' ' 35' ' ' ILE . . . -65.21 -23.6 67.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER 77.88 64.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -111.84 149.64 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -58.46 143.13 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.09 9.03 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.75 -33.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.24 -25.8 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.402 ' C ' HG23 ' A' ' 4' ' ' THR . 0.8 OUTLIER 65.84 28.63 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 4' ' ' THR . 4.1 mt-10 -108.11 143.55 36.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -50.03 136.54 18.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -35.65 34.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 -109.98 2.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.76 58.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.4 OUTLIER -105.74 -21.74 13.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t 82.29 79.9 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.731 0.777 . . . . 0.0 110.812 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -3.7 12.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -30.42 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.06 7.53 8.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 65.7 m-20 -108.07 30.61 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' CYS . 18.8 m -109.22 98.35 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' THR . 43.5 t -36.2 125.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -3.2 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.22 -11.67 21.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 99.6 m -127.08 -33.03 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.897 0.379 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 81.12 22.74 0.33 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -119.56 164.34 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -75.28 144.09 42.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.51 114.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 30.8 p -47.17 173.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 39.8 ptt85 -79.6 6.97 9.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -110.78 -11.59 14.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -106.08 6.39 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -99.23 143.03 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 2.0 mp -121.11 104.15 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.26 115.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.1 145.91 24.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -77.87 84.66 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -178.53 -32.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.94 -2.99 5.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.0 t -118.16 -155.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -158.39 154.88 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.94 139.21 32.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 p -48.21 160.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 1.6 mtpt -60.18 -20.24 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.96 -20.89 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 m -96.19 -47.5 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.8 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 82.77 61.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.415 HG21 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -111.71 139.98 46.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' N ' HD22 ' A' ' 12' ' ' LEU . 36.0 t -46.22 146.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . . . -94.19 10.49 33.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' NH1' ' SG ' ' A' ' 44' ' ' CYS . 3.5 mmt85 -130.39 -34.68 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 m -106.96 -28.43 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' C ' HG21 ' A' ' 4' ' ' THR . 0.0 OUTLIER 72.87 31.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' C ' HG21 ' A' ' 4' ' ' THR . 6.5 mm-40 -105.16 160.19 15.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -66.35 138.8 57.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 5' ' ' CYS . 0.3 OUTLIER -89.72 20.88 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.51 143.75 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER 34.51 54.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.92 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 16' ' ' SER . 10.3 tp -134.74 -35.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER 82.36 80.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.684 0.755 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -76.19 -44.42 37.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.86 26.28 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -120.31 16.03 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -92.93 105.57 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -44.84 130.0 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.11 13.97 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.29 -45.07 0.95 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 1.7 p -107.7 -25.01 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.77 28.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 27.1 m-70 -117.95 161.43 19.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 34.5 mt -74.34 146.39 43.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.69 118.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.2 p -48.62 178.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.6 17.63 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -125.56 -12.38 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.1 m -99.41 -0.14 41.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.409 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -93.2 138.77 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 1.5 mp -107.76 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -43.61 104.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.39 179.38 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.1 m -110.17 8.55 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -96.32 3.87 52.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.48 -6.46 63.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -121.71 -158.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 66.6 p-90 -142.43 152.01 42.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -138.65 133.33 32.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.441 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 20.5 p -46.53 168.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -71.92 -6.64 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.428 ' CG2' ' HD2' ' A' ' 7' ' ' ARG . 14.5 t -98.49 -18.53 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.9 m -101.6 -35.63 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.69 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 76.2 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.38 70.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -121.95 144.81 48.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' N ' HD23 ' A' ' 12' ' ' LEU . 13.2 t -46.58 152.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.418 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -101.67 6.9 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 7' ' ' ARG . 6.1 mmm180 -123.79 -37.59 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.26 -13.13 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 59.51 58.0 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 4' ' ' THR . 1.9 mm-40 -116.37 155.47 28.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -60.06 133.66 56.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 5' ' ' CYS . 0.6 OUTLIER -93.31 15.25 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -46.14 136.24 8.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.565 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 34.87 47.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -125.76 -11.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.3 t 80.11 76.34 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.04 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -86.94 -56.3 3.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -80.51 -4.16 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.425 ' ND2' HD21 ' A' ' 15' ' ' LEU . 80.1 m-20 -96.07 42.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 m -118.95 105.64 11.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.5 t -44.33 129.04 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.01 12.66 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.21 -11.69 2.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 94.8 m -126.24 -32.62 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.815 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 m120 82.26 16.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -106.98 171.22 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.58 144.85 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -153.75 113.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 24.8 p -48.18 177.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.454 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 14.1 ptt85 -83.75 21.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.784 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -125.51 -11.96 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.1 m -109.23 15.97 22.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -107.2 142.38 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.402 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 1.7 mp -117.0 99.02 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.598 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.72 112.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.66 154.64 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -77.83 -7.92 57.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -75.76 0.89 16.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.15 -20.71 39.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 42' ' ' TRP . 6.6 t -116.85 -157.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.325 . . . . 0.0 111.184 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' C ' ' CE3' ' A' ' 42' ' ' TRP . 20.8 p-90 -135.39 154.66 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -135.19 136.5 41.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.9 p -43.96 160.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 1.1 mtpt -63.5 -8.16 8.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.7 t -95.09 -22.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 m -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.26 -20.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 pttp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 12.4 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 78.12 67.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.31 144.08 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -49.83 147.27 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -96.96 17.14 17.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 7' ' ' ARG . 7.3 mmm-85 -133.36 -40.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.7 p -115.96 -13.94 11.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 61.89 57.07 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -116.31 152.23 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 132.87 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.48 21.92 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.23 148.1 33.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 40.21 38.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.05 -17.97 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.88 80.5 0.19 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 0.08 6.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.92 -27.52 54.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -128.29 26.91 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -115.22 13.77 16.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -96.66 106.82 19.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.5 t -43.22 132.08 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 16.88 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.37 -47.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 2.0 p -106.94 -20.32 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.1 t-20 80.32 26.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 60.8 m-70 -112.74 161.91 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.2 mt -77.04 148.7 36.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.04 112.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.0 p -49.34 179.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.3 19.96 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -127.15 -9.0 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.1 m -112.64 17.32 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -113.05 155.75 24.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.465 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 1.9 mp -120.66 118.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 92.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.75 150.65 42.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 t -92.95 38.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -127.34 17.06 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 20.13 60.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 t -156.7 -161.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.14 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.9 p-90 -141.01 159.52 42.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.457 ' NE ' ' HB3' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -145.59 129.75 17.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.6 p -42.56 161.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -66.17 -5.71 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CG2' ' HD3' ' A' ' 7' ' ' ARG . 12.0 t -99.17 -18.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' HB3' ' NE ' ' A' ' 43' ' ' ARG . 57.7 m -104.09 -36.46 7.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.14 -30.82 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.1 mmt180 80.63 67.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.423 HG21 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -122.14 140.84 52.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' N ' HD22 ' A' ' 12' ' ' LEU . 29.0 t -48.12 151.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -95.42 6.43 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 7' ' ' ARG . 6.3 mmm180 -123.78 -47.82 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.71 -18.83 15.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' C ' HG21 ' A' ' 4' ' ' THR . 0.6 OUTLIER 67.85 31.16 5.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 5.6 mm-40 -93.69 143.68 26.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -51.24 146.83 6.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -108.14 27.43 9.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -37.0 -91.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.411 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -83.54 38.66 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -98.33 -32.54 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 82.7 80.7 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.704 0.764 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 1.25 4.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -74.73 -30.55 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.01 2.72 4.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.49 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 3.8 m-20 -95.86 49.45 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -132.33 110.83 10.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.47 137.81 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.97 17.71 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.03 -45.75 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 2.0 p -106.56 -20.82 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.7 m120 76.87 27.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 45.5 m-70 -113.83 161.53 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 48.9 mt -74.99 146.29 41.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.35 117.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 27.2 p -50.23 177.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -82.94 18.93 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -126.48 -8.44 6.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.1 m -107.36 9.84 29.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 22.5 mtt180 -98.84 134.18 42.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.19 106.09 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.52 114.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 26.9 mm-40 -88.81 -23.72 22.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 0.2 OUTLIER 78.41 -46.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 40' ' ' GLY . 13.3 p30 -39.5 -31.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 39' ' ' ASN . . . 147.95 -12.21 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 t -131.39 -156.57 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.773 0.32 . . . . 0.0 111.172 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -152.7 159.66 43.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.44 140.07 31.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.14 166.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -68.51 -10.83 58.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.41 HG22 ' CZ ' ' A' ' 7' ' ' ARG . 10.4 t -91.81 -23.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.0 m -99.63 -42.22 6.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.85 -35.49 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.2 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.332 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER 82.81 68.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.423 HG22 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -120.84 143.19 49.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' N ' HD21 ' A' ' 12' ' ' LEU . 20.9 t -54.81 151.45 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -93.62 1.84 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.071 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 6.5 mmm180 -123.67 -40.87 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 m -101.02 -21.6 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' C ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER 65.64 27.29 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.423 ' C ' HG22 ' A' ' 4' ' ' THR . 54.4 mt-10 -96.76 150.4 20.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 145.39 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.457 HD21 ' N ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -105.99 27.42 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.82 -94.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -83.14 58.1 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 tp -136.38 3.01 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m 57.12 75.26 0.58 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.0 7.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -78.44 -29.18 46.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 p -119.22 23.61 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -117.65 20.37 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -98.65 96.07 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -38.29 131.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' NE ' ' OG1' ' A' ' 41' ' ' THR . 0.5 OUTLIER -85.3 21.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.81 -37.63 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.526 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 4.0 p -116.73 -14.29 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.471 ' CG ' ' C ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER 74.53 20.87 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 43.5 m-70 -106.19 157.24 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 27.0 mt -75.18 148.27 39.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.07 119.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 26.9 p -50.13 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -85.52 18.04 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -126.46 -10.21 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.6 m -105.62 2.53 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 2.6 mtm180 -97.24 133.13 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 mp -106.23 124.76 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -62.28 122.3 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -102.92 160.8 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -95.67 81.02 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -173.16 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.14 -0.65 3.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.426 HG21 ' N ' ' A' ' 42' ' ' TRP . 11.3 t -126.27 -157.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 111.161 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.452 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.7 p-90 -155.4 161.71 40.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.49 136.16 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.6 p -46.64 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -69.88 -9.17 53.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 t -94.75 -20.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.8 m -104.27 -37.78 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.28 -31.02 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.8 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 81.54 74.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.66 145.33 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.45 ' N ' HD21 ' A' ' 12' ' ' LEU . 17.7 t -49.37 136.97 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.01 20.95 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -134.09 -48.67 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -104.63 -22.98 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.79 46.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.65 155.32 19.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.62 140.11 58.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -100.5 7.0 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.45 -90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.529 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -76.4 50.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -141.03 12.12 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.2 80.58 0.28 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.748 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 66.29 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -139.32 -51.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.47 1.1 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 84.0 m-20 -97.24 30.21 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -108.01 112.94 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.48 129.41 28.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -12.37 59.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.19 -12.16 43.25 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.2 m -124.24 -32.83 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 80.49 22.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -118.38 162.83 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.46 147.68 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.36 117.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.5 p -50.97 176.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 26.2 ptt180 -83.93 22.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -126.44 -10.88 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 65.8 m -110.11 11.84 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -105.12 144.85 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.478 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 1.5 mp -113.87 95.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.581 ' N ' HE21 ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.97 113.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.1 -19.66 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.04 8.51 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -105.2 27.68 8.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.72 -13.55 59.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 t -152.04 -161.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.201 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -147.07 163.56 35.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.72 132.79 27.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 p -43.04 166.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -66.03 -19.31 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.47 -21.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.7 m -97.89 -52.38 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.22 -10.23 58.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.0 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.73 68.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.415 HG21 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -123.42 139.07 54.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.465 ' N ' HD23 ' A' ' 12' ' ' LEU . 19.4 t -48.41 152.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -96.64 3.08 52.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' NE ' HG23 ' A' ' 46' ' ' VAL . 8.9 mmm180 -123.73 -40.13 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 m -100.96 -23.35 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.415 ' C ' HG21 ' A' ' 4' ' ' THR . 0.8 OUTLIER 68.42 29.83 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' C ' HG21 ' A' ' 4' ' ' THR . 7.6 mt-10 -100.4 151.77 21.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 p -56.37 146.57 23.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -103.74 26.95 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.48 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 19.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 16' ' ' SER . 3.1 mm? -75.69 -37.55 59.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.74 76.21 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.895 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 0.95 4.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -32.74 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.62 0.51 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -86.98 45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -125.7 105.18 8.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.5 128.13 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.48 4.24 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -49.99 1.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.4 p -105.08 -19.25 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 76.41 23.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -107.61 159.01 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 28.9 mt -74.25 141.79 45.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.29 116.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 26.6 p -46.81 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.9 mtm-85 -79.52 11.67 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -119.29 -8.46 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 55.6 m -107.67 6.2 27.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 14.9 mtm180 -94.83 139.08 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 1.9 mp -116.81 98.4 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.57 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -36.23 141.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -126.09 178.58 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.45 -11.62 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -83.06 37.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.41 24.98 32.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.562 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -150.33 -161.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -141.91 161.73 37.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -140.4 142.35 35.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.2 p -52.61 167.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 1.6 mtpt -70.51 -9.72 57.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.447 HG23 ' NE ' ' A' ' 7' ' ' ARG . 12.0 t -96.78 -18.85 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.8 m -102.15 -31.98 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.85 -21.37 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.775 0.321 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 81.46 64.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.419 HG23 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -113.74 145.39 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.19 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.448 ' N ' HD22 ' A' ' 12' ' ' LEU . 9.0 t -43.62 151.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 14.09 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.543 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 23.2 mmm180 -138.33 -38.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.3 p -115.42 -5.38 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' HB3' ' A' ' 5' ' ' CYS . 2.3 mm-40 50.23 57.9 6.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 68.6 mt-10 -111.46 155.96 22.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.29 128.6 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 1.2 mm? -94.18 10.01 35.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -36.63 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' O ' ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -78.38 47.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 1.6 tp -129.68 -5.16 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 m 53.79 78.33 0.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.676 0.75 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.19 4.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.574 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -76.76 0.99 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.03 17.07 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 77.5 m-20 -115.4 26.86 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -104.16 101.8 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.9 t -38.58 140.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -94.36 2.15 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.86 -30.27 6.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.3 p -122.25 -25.71 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER 82.75 28.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.446 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 54.6 m-70 -111.81 162.33 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.89 142.46 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.38 112.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 26.3 p -48.99 179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.454 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 18.6 ptt180 -83.7 21.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -124.37 -23.07 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.0 m -97.15 11.81 35.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -105.27 154.14 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 mp -117.74 107.33 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -51.75 109.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.74 -24.86 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t 67.0 8.34 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.87 6.45 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.06 -14.66 19.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 42' ' ' TRP . 4.3 t -138.02 -158.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.402 ' N ' ' CG2' ' A' ' 41' ' ' THR . 66.7 p-90 -152.43 160.3 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.5 132.17 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.1 p -46.06 168.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -70.91 -5.87 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.543 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 12.4 t -98.8 -19.31 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.1 m -104.6 -30.37 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 -19.52 28.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.4 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 2.5 mmt180 82.62 72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -119.36 143.25 47.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' N ' HD23 ' A' ' 12' ' ' LEU . 25.0 t -49.7 141.9 9.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.62 17.71 12.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HD2' ' CG2' ' A' ' 46' ' ' VAL . 8.3 mmt180 -131.85 -37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.1 p -119.2 -13.42 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' C ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 61.17 55.78 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -113.99 161.36 17.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.24 128.04 35.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -83.96 23.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.26 138.56 43.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.77 54.23 10.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 16' ' ' SER . 10.6 mt -130.78 -94.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.3 t 161.11 75.82 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.762 0.791 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 2.77 3.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -22.5 18.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 p -128.42 5.5 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -103.21 32.23 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -107.92 103.39 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.431 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 33.7 t -41.78 141.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -92.06 -14.35 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.72 -10.9 42.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 88.9 m -124.88 -32.17 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER 78.18 23.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -117.55 172.36 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.3 151.44 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -158.22 119.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.4 p -53.14 175.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.97 20.84 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -125.28 -12.86 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 m -106.15 8.73 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -99.52 138.82 36.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 1.7 mp -114.56 112.89 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.66 121.56 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.46 151.35 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.24 79.47 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.04 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.99 -6.69 3.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -121.65 -161.41 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 111.12 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.431 ' CZ3' ' HA ' ' A' ' 22' ' ' CYS . 55.5 p-90 -150.09 164.09 36.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.52 129.29 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.3 p -39.78 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -55.48 -36.47 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.441 ' CG2' ' HD2' ' A' ' 7' ' ' ARG . 24.1 t -66.78 -22.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.5 m -92.94 -51.74 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.66 -20.07 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.78 66.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.418 HG23 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.83 143.63 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.468 ' N ' HD23 ' A' ' 12' ' ' LEU . 13.7 t -55.36 146.17 20.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.409 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -87.51 0.33 55.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 6.2 mmm180 -123.7 -35.24 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.98 -27.02 13.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' C ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 64.86 27.18 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' C ' HG23 ' A' ' 4' ' ' THR . 2.3 mm-40 -107.23 147.21 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.5 t -52.18 131.44 32.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -77.76 -40.31 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 34.44 -129.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.73 91.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 16' ' ' SER . 15.5 tp -165.24 -93.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.5 p 160.27 78.81 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 2.74 3.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -96.42 -34.76 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.7 p -107.8 19.06 20.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -126.18 30.5 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' CYS . 41.5 m -102.6 94.37 5.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 49.2 t -34.52 127.54 0.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 6.76 7.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.07 -11.9 5.06 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.3 m -124.42 -31.62 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.807 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER 80.17 16.99 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -113.54 164.08 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 67.9 mt -75.44 148.1 39.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.46 117.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 27.9 p -49.1 178.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.43 8.14 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.95 -9.59 13.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.8 m -106.59 3.56 27.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 1.7 mtm180 -101.73 143.03 32.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 2.1 mp -114.22 113.71 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.66 111.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.12 163.16 16.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.1 p -89.24 20.24 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -113.33 17.0 18.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.69 0.09 79.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 t -121.56 -162.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.402 ' CE2' ' NH1' ' A' ' 34' ' ' ARG . 39.0 p-90 -149.31 154.47 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -145.92 139.28 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 p -43.38 166.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 2.6 mtpt -69.21 -15.5 63.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.51 -21.0 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.05 -48.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -15.58 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 23.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.811 0.338 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 82.57 71.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.416 HG23 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -119.77 144.61 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.441 ' N ' HD23 ' A' ' 12' ' ' LEU . 23.5 t -53.55 142.54 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.51 8.91 20.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -129.57 -38.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.9 m -103.07 -24.61 13.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.416 ' C ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 65.68 23.58 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -101.63 134.51 44.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.15 148.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.783 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -94.56 32.39 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.892 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.83 123.9 4.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 43.29 82.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -151.41 -36.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.4 m 82.76 80.63 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.8 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 2.01 3.91 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -70.29 -20.99 62.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.2 p -139.72 26.16 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 16' ' ' SER . 88.5 m-20 -124.58 27.15 7.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -108.35 111.08 22.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.507 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 19.8 t -38.54 141.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -9.42 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.75 -11.38 21.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.6 m -121.77 -32.03 3.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER 78.22 20.36 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -114.06 163.99 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 mt -74.57 149.72 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -154.04 119.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' VAL . 26.4 p -48.82 178.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.1 mtt85 -86.87 18.8 3.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -127.36 -8.49 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.4 m -106.2 10.7 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 5.9 mtm180 -104.45 142.87 33.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.42 ' HB ' ' CB ' ' A' ' 48' ' ' ALA . 1.7 mp -113.99 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -49.29 119.52 3.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -100.21 167.88 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -92.93 9.5 35.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.84 1.08 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.16 62.67 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.386 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 42' ' ' TRP . 4.7 t -111.31 -157.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 111.122 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.507 ' CZ3' ' HA ' ' A' ' 22' ' ' CYS . 52.0 p-90 -150.95 153.8 35.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -138.81 131.57 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 p -39.99 160.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -61.41 -21.67 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -78.74 -24.17 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m -98.07 -54.38 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' LYS . . . -63.71 -15.25 57.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ALA . 6.9 tptt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.844 0.354 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.8 66.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.51 141.26 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' N ' HD21 ' A' ' 12' ' ' LEU . 9.4 t -43.17 151.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -101.03 5.03 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.457 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 7.0 mmm180 -123.28 -37.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.73 -12.36 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 58.38 57.46 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.473 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 21.1 mt-10 -118.62 153.99 33.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 t -59.24 137.68 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -101.9 25.03 9.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.79 -96.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -76.67 49.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 16' ' ' SER . 6.8 mt -126.18 -28.39 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.8 t 81.42 80.59 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 -1.56 8.75 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -80.72 -30.43 36.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -121.2 13.08 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 71.9 m-20 -109.32 20.85 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -98.9 114.61 27.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 41.6 t -49.11 132.6 19.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -84.88 8.86 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.828 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.62 -43.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.9 p -109.3 -21.23 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.8 11.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . 19.6 m-70 -94.29 157.0 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.2 138.89 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.452 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -148.01 111.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.1 p -49.17 179.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 10.7 ptt-85 -83.79 22.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -127.62 -8.35 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.9 m -114.99 19.11 16.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -110.01 147.37 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.489 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 1.3 mp -122.83 117.69 52.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.07 125.82 13.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -112.65 117.74 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -49.69 -27.17 4.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -44.67 -49.72 10.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.71 -33.89 0.32 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -117.61 -152.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.121 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CZ3' ' HA ' ' A' ' 22' ' ' CYS . 34.6 p-90 -129.89 152.67 49.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.59 139.6 33.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' CYS . 15.6 p -54.09 147.26 13.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -42.63 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.457 HG23 ' CZ ' ' A' ' 7' ' ' ARG . 15.9 t -58.56 -40.79 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' CYS . 5.0 m -78.21 -53.58 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -30.91 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.031 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.81 63.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.415 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -116.13 149.23 39.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.3 15.86 7.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -134.17 -46.41 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.55 -19.71 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.415 ' C ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER 67.8 26.2 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' C ' HG22 ' A' ' 4' ' ' THR . 60.6 mt-10 -93.45 141.98 27.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -54.96 139.41 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' N ' HD21 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -94.33 10.04 35.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -35.0 -82.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -76.81 52.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 3.9 tp -146.22 15.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LEU . 57.8 m 35.5 75.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.447 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.81 65.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.735 2.29 . . . . 0.0 112.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -127.45 -8.29 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.78 13.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 82.2 m-20 -101.54 29.09 5.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -106.99 99.02 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.6 t -38.67 129.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -3.27 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.92 -47.46 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.8 p -106.14 -20.5 13.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER 79.61 20.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.443 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 48.5 m-70 -106.46 160.05 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.3 148.83 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.97 118.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 27.9 p -49.0 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.6 ptp180 -81.71 14.4 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -121.11 -10.95 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.5 m -105.37 12.28 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.3 mtm180 -98.9 137.43 37.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.423 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 1.5 mp -108.47 99.14 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -37.95 100.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -82.79 161.89 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.59 12.99 23.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -104.43 28.81 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.96 14.13 65.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 t -142.19 -156.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -145.54 153.89 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -139.52 132.34 29.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -43.34 165.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -72.59 -6.49 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.548 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 5.7 t -94.4 -21.31 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.0 m -101.09 -51.79 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.32 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.847 0.356 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m-20 -120.29 -6.03 9.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.81 66.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.42 HG23 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -118.8 140.98 49.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' N ' HD23 ' A' ' 12' ' ' LEU . 9.0 t -41.62 153.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.63 5.26 39.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 9.3 mmm180 -123.33 -35.33 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.82 -10.28 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.42 ' C ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 55.71 58.46 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -117.01 153.75 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 135.5 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 5' ' ' CYS . 0.3 OUTLIER -93.74 -44.22 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 36.73 -111.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -76.6 52.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -107.69 -36.91 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER 82.69 80.73 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 0.96 4.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.76 -32.67 73.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.81 0.89 2.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 5.3 m-20 -90.97 42.23 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' CYS . 97.6 m -126.51 107.88 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 35.5 t -36.72 126.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -77.32 -1.55 30.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.82 13.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 85.4 m -125.35 -32.63 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 81.54 14.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -108.06 169.65 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 mt -81.91 149.55 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.91 112.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.436 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 26.2 p -48.82 177.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.59 21.12 1.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -125.11 -13.58 6.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.4 m -106.85 8.64 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -103.67 140.77 37.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' HB ' ' CB ' ' A' ' 48' ' ' ALA . 1.7 mp -113.48 111.19 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.95 103.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -77.14 138.6 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -51.74 -20.75 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.1 p30 -78.69 -158.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.02 45.42 1.58 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 42' ' ' TRP . 1.6 t -167.92 -158.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.19 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.458 ' N ' ' CG2' ' A' ' 41' ' ' THR . 37.3 p-90 -146.43 152.93 39.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -136.29 134.43 37.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 p -42.99 166.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -66.12 -19.19 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.9 t -83.99 -20.2 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.62 -50.01 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . . . -65.58 -17.18 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -54.28 173.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -86.92 88.93 7.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 tt -172.13 145.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -122.13 -178.97 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.91 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.2 OUTLIER -117.85 -5.75 11.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.57 73.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.404 HG21 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -120.63 146.77 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.416 ' N ' HD22 ' A' ' 12' ' ' LEU . 36.9 t -53.64 147.42 11.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.69 8.77 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 2.6 mmm-85 -127.33 -44.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 m -101.05 -22.88 14.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' C ' HG21 ' A' ' 4' ' ' THR . 0.4 OUTLIER 66.73 30.37 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.67 140.95 36.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t -46.1 142.01 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -88.54 26.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' LEU . . . -56.66 150.62 26.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.9 27.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -117.04 -10.41 10.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.448 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 59.35 74.27 0.6 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.09 6.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.6 -41.23 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 t -136.74 64.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 16' ' ' SER . 76.3 m-20 -135.33 12.29 3.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -89.5 106.87 18.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 t -42.69 133.2 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -83.7 -0.97 53.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.25 -42.71 3.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 3.4 p -111.93 -18.9 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 78.49 26.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 51.0 m-70 -114.3 158.8 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.412 ' C ' HG23 ' A' ' 29' ' ' VAL . 12.7 mt -74.45 150.09 40.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -153.65 119.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -51.23 -177.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 5.3 ptt180 -85.86 15.79 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -122.63 -15.04 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.4 m -102.34 10.41 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.2 mtt180 -98.95 137.51 37.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 1.6 mp -109.56 107.05 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.547 ' NE2' ' N ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -49.81 109.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.6 -0.76 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 44.07 74.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -174.12 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.62 -15.67 0.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 42' ' ' TRP . 6.4 t -125.82 -160.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.458 ' N ' HG23 ' A' ' 41' ' ' THR . 62.3 p-90 -159.77 159.99 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.13 133.17 21.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.8 p -45.88 171.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 1.5 mtpt -74.12 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 6.5 t -92.48 -20.94 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.0 m -100.0 -43.83 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.84 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -58.28 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -177.63 65.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -45.73 -28.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.18 162.01 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.845 0.355 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 61.9 m-20 -121.25 -6.98 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER 82.68 67.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -114.86 144.97 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.164 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.426 ' N ' HD22 ' A' ' 12' ' ' LEU . 17.8 t -56.63 144.23 32.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -87.44 1.18 54.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 6' ' ' ALA . 7.5 mmm180 -123.31 -35.05 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.91 -25.8 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.27 36.35 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' N ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -114.51 154.48 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -52.74 139.68 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -90.22 -35.57 15.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.51 -125.19 5.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 76.0 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -127.21 -29.83 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.21 80.87 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.678 0.751 . . . . 0.0 110.811 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -7.58 21.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.99 -6.73 23.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.99 14.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' CG ' ' NH2' ' A' ' 34' ' ' ARG . 3.6 m-20 -114.82 26.87 9.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.1 m -109.0 103.87 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -41.77 130.84 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.42 -12.76 59.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.49 -11.67 40.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 96.8 m -127.48 -33.05 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 81.34 20.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -113.21 162.49 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.4 mt -74.86 151.06 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.33 117.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -48.89 176.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.64 19.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -126.43 -8.64 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.36 10.88 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' CG ' ' A' ' 20' ' ' ASN . 4.4 mtt180 -105.49 137.97 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 mp -109.26 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -50.98 122.59 7.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.63 122.72 46.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -42.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -38.93 -40.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.54 4.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t -116.05 -160.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.192 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.3 p-90 -149.26 154.91 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' CYS . 1.3 mmm-85 -144.71 132.65 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' ARG . 10.0 p -38.29 157.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -58.19 -23.16 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -80.09 -20.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.3 m -98.9 -50.74 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -26.02 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 124.31 52.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.42 84.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 tt -71.04 138.54 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 118.53 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.892 0.377 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 m-20 -120.06 -5.76 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 80.3 67.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.415 HG21 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.95 147.77 35.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.7 t -56.73 145.89 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.47 2.75 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 7.1 mmm180 -122.81 -39.75 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.8 m -101.82 -24.7 14.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' C ' HG21 ' A' ' 4' ' ' THR . 0.0 OUTLIER 66.02 29.64 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.98 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' C ' HG21 ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.63 153.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 t -56.4 140.1 46.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -86.55 -37.97 17.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.94 -121.72 17.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.87 60.92 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -114.2 -26.26 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.9 t 80.7 80.66 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.411 ' CB ' HD22 ' A' ' 28' ' ' LEU . 54.0 Cg_endo -69.77 -6.88 19.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.246 . . . . 0.0 112.412 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -22.71 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -131.1 17.98 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.482 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 15.1 m-20 -114.96 7.0 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.7 m -87.47 98.36 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -38.52 127.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.32 7.94 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.98 -48.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.7 p -107.15 -20.12 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 3.1 m-80 77.85 34.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -122.14 162.0 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 17' ' ' PRO . 40.1 mt -75.9 144.83 40.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.62 117.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.3 p -48.03 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 19.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.98 -13.43 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 92.1 m -104.23 9.76 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 2.9 mtt180 -100.97 137.38 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.54 104.81 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 114.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.15 171.23 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.34 5.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -96.82 17.47 16.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.28 12.27 84.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 t -135.32 -160.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 111.063 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -146.07 157.19 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.29 129.43 18.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.7 p -41.73 163.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -69.37 -6.54 30.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.19 -18.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.5 m -106.26 -32.26 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.08 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -127.11 122.37 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -85.43 152.68 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.7 tt -157.13 149.65 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 41.25 82.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 1.6 m-20 -124.26 -6.7 7.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.82 64.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -114.01 146.19 40.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' N ' HD22 ' A' ' 12' ' ' LEU . 34.6 t -57.8 148.46 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.15 6.23 40.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.497 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 3.6 mmm-85 -128.27 -39.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 m -101.77 -21.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.42 ' C ' HG22 ' A' ' 4' ' ' THR . 2.3 mt-30 59.78 33.51 21.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 4' ' ' THR . 4.9 mt-10 -110.78 144.55 39.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -40.94 143.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -95.94 -31.08 13.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 35.1 -119.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -73.21 67.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.799 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -120.28 -36.36 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.2 t 82.71 80.81 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -0.93 7.64 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.226 . . . . 0.0 112.407 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -59.53 -36.82 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.43 0.83 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.546 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 7.2 m-20 -86.85 30.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -116.6 102.47 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -37.55 127.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 10.8 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.78 -48.54 1.02 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.8 p -105.81 -20.69 13.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER 79.79 32.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -121.34 160.45 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 97.0 mt -75.73 151.13 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.94 118.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -47.72 174.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.3 16.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.01 -11.51 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 65.7 m -106.01 13.38 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.546 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 1.1 mtt180 -104.57 138.64 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.62 118.09 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.501 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -57.53 109.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.96 151.66 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.62 16.83 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -101.21 -3.74 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 15.59 25.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.1 t -149.21 -158.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.131 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 -144.82 153.92 42.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.02 140.77 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -48.85 163.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -67.42 -8.5 33.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.497 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 15.4 t -96.0 -18.26 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.18 -31.67 8.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.68 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.061 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.69 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.5 82.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -159.16 126.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.05 135.66 54.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.782 0.325 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 14.4 m-20 -116.63 5.12 13.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER 77.27 64.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.412 HG21 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -116.24 148.59 40.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' N ' HD21 ' A' ' 12' ' ' LEU . 19.0 t -60.2 146.01 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.67 0.88 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.462 ' NE ' HG21 ' A' ' 46' ' ' VAL . 15.3 mmm180 -121.41 -35.47 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.0 m -105.33 -22.82 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.412 ' C ' HG21 ' A' ' 4' ' ' THR . 0.3 OUTLIER 62.81 31.66 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.18 161.28 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 p -62.03 139.91 58.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -89.13 31.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.63 123.31 2.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 35.05 67.33 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.505 ' CD2' ' ND2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -124.21 -26.88 3.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.6 t 82.69 78.48 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.636 0.731 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 3' ' ' ARG . 53.4 Cg_endo -69.77 -1.22 8.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -75.64 -17.41 60.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.52 20.28 2.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 15' ' ' LEU . 16.1 m-20 -114.03 18.62 17.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -100.9 96.19 7.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -39.12 125.03 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 2.72 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.52 -11.61 10.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 93.5 m -125.99 -29.71 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.4 m120 81.46 13.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -113.18 165.27 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 66.2 mt -76.59 154.35 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.12 118.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.7 p -49.05 172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 30.7 ptt180 -79.66 9.91 4.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.3 -14.55 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.9 m -103.83 3.14 33.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 4.3 mtm180 -94.57 133.57 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.463 ' CG2' ' CB ' ' A' ' 48' ' ' ALA . 1.4 mp -111.63 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -48.66 118.06 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -94.63 164.94 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 m -94.6 20.51 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.48 1.99 18.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.4 62.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.446 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -118.65 -159.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.725 0.297 . . . . 0.0 111.114 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -145.93 155.52 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -143.41 137.45 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.5 p -42.04 163.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 2.2 mtpt -64.27 -15.27 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.462 HG21 ' NE ' ' A' ' 7' ' ' ARG . 16.2 t -90.81 -18.04 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 4.2 m -98.46 -44.84 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.463 ' CB ' ' CG2' ' A' ' 35' ' ' ILE . . . -65.21 -23.6 67.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -97.87 53.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.16 135.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 pt -145.23 17.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -115.69 52.61 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.927 0.394 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 -112.21 0.32 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER 77.88 64.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -111.84 149.64 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -58.46 143.13 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.09 9.03 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.75 -33.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.24 -25.8 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.402 ' C ' HG23 ' A' ' 4' ' ' THR . 0.8 OUTLIER 65.84 28.63 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 4' ' ' THR . 4.1 mt-10 -108.11 143.55 36.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -50.03 136.54 18.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -35.65 34.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 -109.98 2.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.76 58.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.4 OUTLIER -105.74 -21.74 13.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t 82.29 79.9 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.731 0.777 . . . . 0.0 110.812 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -3.7 12.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -30.42 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.06 7.53 8.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 65.7 m-20 -108.07 30.61 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' CYS . 18.8 m -109.22 98.35 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' THR . 43.5 t -36.2 125.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -3.2 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.22 -11.67 21.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 99.6 m -127.08 -33.03 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.897 0.379 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 81.12 22.74 0.33 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -119.56 164.34 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -75.28 144.09 42.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.51 114.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 30.8 p -47.17 173.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 39.8 ptt85 -79.6 6.97 9.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -110.78 -11.59 14.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -106.08 6.39 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -99.23 143.03 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 2.0 mp -121.11 104.15 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.26 115.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.1 145.91 24.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -77.87 84.66 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -178.53 -32.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.94 -2.99 5.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.0 t -118.16 -155.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -158.39 154.88 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.94 139.21 32.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 p -48.21 160.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 1.6 mtpt -60.18 -20.24 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.96 -20.89 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 m -96.19 -47.5 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.8 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.21 -52.86 2.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 61.58 81.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 tt -112.37 2.67 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.05 -13.64 7.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -113.72 0.63 14.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 82.77 61.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.415 HG21 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -111.71 139.98 46.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' N ' HD22 ' A' ' 12' ' ' LEU . 36.0 t -46.22 146.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . . . -94.19 10.49 33.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' NH1' ' SG ' ' A' ' 44' ' ' CYS . 3.5 mmt85 -130.39 -34.68 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 m -106.96 -28.43 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' C ' HG21 ' A' ' 4' ' ' THR . 0.0 OUTLIER 72.87 31.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' C ' HG21 ' A' ' 4' ' ' THR . 6.5 mm-40 -105.16 160.19 15.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -66.35 138.8 57.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 5' ' ' CYS . 0.3 OUTLIER -89.72 20.88 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.51 143.75 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER 34.51 54.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.92 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 16' ' ' SER . 10.3 tp -134.74 -35.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER 82.36 80.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.684 0.755 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -76.19 -44.42 37.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.86 26.28 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -120.31 16.03 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -92.93 105.57 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -44.84 130.0 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.11 13.97 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.29 -45.07 0.95 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 1.7 p -107.7 -25.01 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.77 28.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 27.1 m-70 -117.95 161.43 19.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 34.5 mt -74.34 146.39 43.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.69 118.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.2 p -48.62 178.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.6 17.63 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -125.56 -12.38 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.1 m -99.41 -0.14 41.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.409 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -93.2 138.77 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 1.5 mp -107.76 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -43.61 104.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.39 179.38 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.1 m -110.17 8.55 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -96.32 3.87 52.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.48 -6.46 63.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -121.71 -158.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 66.6 p-90 -142.43 152.01 42.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -138.65 133.33 32.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.441 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 20.5 p -46.53 168.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -71.92 -6.64 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.428 ' CG2' ' HD2' ' A' ' 7' ' ' ARG . 14.5 t -98.49 -18.53 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.9 m -101.6 -35.63 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.69 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -69.12 -30.07 68.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 76.31 127.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.03 -77.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.34 -39.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.97 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 76.2 m-20 -111.12 -3.73 15.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.38 70.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -121.95 144.81 48.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' N ' HD23 ' A' ' 12' ' ' LEU . 13.2 t -46.58 152.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -101.67 6.9 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 7' ' ' ARG . 6.1 mmm180 -123.79 -37.59 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.26 -13.13 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 59.51 58.0 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 4' ' ' THR . 1.9 mm-40 -116.37 155.47 28.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -60.06 133.66 56.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 5' ' ' CYS . 0.6 OUTLIER -93.31 15.25 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -46.14 136.24 8.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.565 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 34.87 47.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -125.76 -11.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.3 t 80.11 76.34 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.04 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -86.94 -56.3 3.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -80.51 -4.16 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.425 ' ND2' HD21 ' A' ' 15' ' ' LEU . 80.1 m-20 -96.07 42.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 m -118.95 105.64 11.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.5 t -44.33 129.04 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.01 12.66 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.21 -11.69 2.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 94.8 m -126.24 -32.62 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.815 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 m120 82.26 16.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -106.98 171.22 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.58 144.85 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -153.75 113.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 24.8 p -48.18 177.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.454 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 14.1 ptt85 -83.75 21.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.784 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -125.51 -11.96 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.1 m -109.23 15.97 22.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -107.2 142.38 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 1.7 mp -117.0 99.02 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.598 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.72 112.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.66 154.64 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -77.83 -7.92 57.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -75.76 0.89 16.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.15 -20.71 39.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 42' ' ' TRP . 6.6 t -116.85 -157.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.325 . . . . 0.0 111.184 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' C ' ' CE3' ' A' ' 42' ' ' TRP . 20.8 p-90 -135.39 154.66 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -135.19 136.5 41.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.9 p -43.96 160.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 1.1 mtpt -63.5 -8.16 8.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.7 t -95.09 -22.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 m -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.26 -20.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -84.12 -29.61 26.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.04 -153.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.84 -20.74 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 59.44 157.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.886 0.374 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 12.4 m-20 -110.72 7.09 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 78.12 67.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.31 144.08 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -49.83 147.27 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -96.96 17.14 17.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 7' ' ' ARG . 7.3 mmm-85 -133.36 -40.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.7 p -115.96 -13.94 11.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 61.89 57.07 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -116.31 152.23 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 132.87 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.48 21.92 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.23 148.1 33.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 40.21 38.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.05 -17.97 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.88 80.5 0.19 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 0.08 6.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.92 -27.52 54.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -128.29 26.91 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -115.22 13.77 16.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -96.66 106.82 19.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.5 t -43.22 132.08 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 16.88 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.37 -47.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 2.0 p -106.94 -20.32 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.1 t-20 80.32 26.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 60.8 m-70 -112.74 161.91 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.2 mt -77.04 148.7 36.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.04 112.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.0 p -49.34 179.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.3 19.96 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -127.15 -9.0 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.1 m -112.64 17.32 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -113.05 155.75 24.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.465 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 1.9 mp -120.66 118.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 92.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.75 150.65 42.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 t -92.95 38.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -127.34 17.06 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 20.13 60.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 t -156.7 -161.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.14 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.9 p-90 -141.01 159.52 42.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' NE ' ' HB3' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -145.59 129.75 17.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.6 p -42.56 161.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -66.17 -5.71 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CG2' ' HD3' ' A' ' 7' ' ' ARG . 12.0 t -99.17 -18.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' HB3' ' NE ' ' A' ' 43' ' ' ARG . 57.7 m -104.09 -36.46 7.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.14 -30.82 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -95.33 106.14 18.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' A' ' 50' ' ' GLU . 9.4 pt-20 -112.38 110.88 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.7 mt -83.1 132.33 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -41.24 -57.39 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.802 0.334 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER -128.99 2.46 5.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.1 mmt180 80.63 67.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.423 HG21 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -122.14 140.84 52.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' N ' HD22 ' A' ' 12' ' ' LEU . 29.0 t -48.12 151.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -95.42 6.43 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 7' ' ' ARG . 6.3 mmm180 -123.78 -47.82 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.71 -18.83 15.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' C ' HG21 ' A' ' 4' ' ' THR . 0.6 OUTLIER 67.85 31.16 5.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 5.6 mm-40 -93.69 143.68 26.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -51.24 146.83 6.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -108.14 27.43 9.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -37.0 -91.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.411 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -83.54 38.66 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -98.33 -32.54 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 82.7 80.7 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.704 0.764 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 1.25 4.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -74.73 -30.55 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.01 2.72 4.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.49 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 3.8 m-20 -95.86 49.45 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -132.33 110.83 10.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.47 137.81 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.97 17.71 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.03 -45.75 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 2.0 p -106.56 -20.82 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.7 m120 76.87 27.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 45.5 m-70 -113.83 161.53 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 48.9 mt -74.99 146.29 41.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.35 117.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 27.2 p -50.23 177.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -82.94 18.93 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -126.48 -8.44 6.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.1 m -107.36 9.84 29.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 22.5 mtt180 -98.84 134.18 42.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.19 106.09 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.52 114.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 26.9 mm-40 -88.81 -23.72 22.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 0.2 OUTLIER 78.41 -46.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 40' ' ' GLY . 13.3 p30 -39.5 -31.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 39' ' ' ASN . . . 147.95 -12.21 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 t -131.39 -156.57 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.773 0.32 . . . . 0.0 111.172 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -152.7 159.66 43.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.44 140.07 31.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.14 166.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -68.51 -10.83 58.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.41 HG22 ' CZ ' ' A' ' 7' ' ' ARG . 10.4 t -91.81 -23.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.0 m -99.63 -42.22 6.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.85 -35.49 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -114.14 165.47 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 67.93 168.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 pt -102.88 172.37 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.07 159.56 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.2 m-20 -120.3 -7.57 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER 82.81 68.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.423 HG22 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -120.84 143.19 49.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' N ' HD21 ' A' ' 12' ' ' LEU . 20.9 t -54.81 151.45 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -93.62 1.84 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.071 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 6.5 mmm180 -123.67 -40.87 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 m -101.02 -21.6 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' C ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER 65.64 27.29 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' C ' HG22 ' A' ' 4' ' ' THR . 54.4 mt-10 -96.76 150.4 20.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 145.39 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD21 ' N ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -105.99 27.42 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.82 -94.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -83.14 58.1 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 tp -136.38 3.01 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m 57.12 75.26 0.58 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.0 7.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -78.44 -29.18 46.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 p -119.22 23.61 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -117.65 20.37 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -98.65 96.07 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -38.29 131.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' NE ' ' OG1' ' A' ' 41' ' ' THR . 0.5 OUTLIER -85.3 21.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.81 -37.63 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.526 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 4.0 p -116.73 -14.29 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.471 ' CG ' ' C ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER 74.53 20.87 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 43.5 m-70 -106.19 157.24 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 27.0 mt -75.18 148.27 39.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.07 119.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 26.9 p -50.13 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -85.52 18.04 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -126.46 -10.21 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.6 m -105.62 2.53 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 2.6 mtm180 -97.24 133.13 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 mp -106.23 124.76 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -62.28 122.3 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -102.92 160.8 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -95.67 81.02 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -173.16 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.14 -0.65 3.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.426 HG21 ' N ' ' A' ' 42' ' ' TRP . 11.3 t -126.27 -157.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 111.161 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.452 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.7 p-90 -155.4 161.71 40.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.49 136.16 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.6 p -46.64 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -69.88 -9.17 53.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 t -94.75 -20.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.8 m -104.27 -37.78 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.28 -31.02 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.4 118.56 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -48.36 108.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 tt -52.83 141.98 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -43.5 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.8 m-20 -116.55 1.25 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 81.54 74.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.66 145.33 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.45 ' N ' HD21 ' A' ' 12' ' ' LEU . 17.7 t -49.37 136.97 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.01 20.95 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -134.09 -48.67 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -104.63 -22.98 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.79 46.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.65 155.32 19.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.62 140.11 58.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -100.5 7.0 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.45 -90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.529 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -76.4 50.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -141.03 12.12 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.2 80.58 0.28 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.748 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 66.29 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -139.32 -51.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.47 1.1 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 84.0 m-20 -97.24 30.21 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -108.01 112.94 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.48 129.41 28.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -12.37 59.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.19 -12.16 43.25 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.2 m -124.24 -32.83 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 80.49 22.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -118.38 162.83 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.46 147.68 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.36 117.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.5 p -50.97 176.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 26.2 ptt180 -83.93 22.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -126.44 -10.88 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 65.8 m -110.11 11.84 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -105.12 144.85 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.478 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 1.5 mp -113.87 95.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.581 ' N ' HE21 ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.97 113.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.1 -19.66 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.04 8.51 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -105.2 27.68 8.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.72 -13.55 59.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 t -152.04 -161.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.201 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -147.07 163.56 35.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.72 132.79 27.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 p -43.04 166.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -66.03 -19.31 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.47 -21.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.7 m -97.89 -52.38 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.22 -10.23 58.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.48 138.17 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.96 149.04 44.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.42 -30.28 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -168.36 47.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 52' ' ' GLU . 2.7 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.0 m-20 -114.32 -0.2 13.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.73 68.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.415 HG21 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -123.42 139.07 54.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' N ' HD23 ' A' ' 12' ' ' LEU . 19.4 t -48.41 152.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -96.64 3.08 52.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' NE ' HG23 ' A' ' 46' ' ' VAL . 8.9 mmm180 -123.73 -40.13 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 m -100.96 -23.35 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' C ' HG21 ' A' ' 4' ' ' THR . 0.8 OUTLIER 68.42 29.83 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' C ' HG21 ' A' ' 4' ' ' THR . 7.6 mt-10 -100.4 151.77 21.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 p -56.37 146.57 23.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -103.74 26.95 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.48 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 19.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 16' ' ' SER . 3.1 mm? -75.69 -37.55 59.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.74 76.21 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.895 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 0.95 4.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -32.74 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.62 0.51 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -86.98 45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -125.7 105.18 8.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.5 128.13 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.48 4.24 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -49.99 1.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.4 p -105.08 -19.25 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 76.41 23.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -107.61 159.01 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 28.9 mt -74.25 141.79 45.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.29 116.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 26.6 p -46.81 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.9 mtm-85 -79.52 11.67 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -119.29 -8.46 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 55.6 m -107.67 6.2 27.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 14.9 mtm180 -94.83 139.08 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 1.9 mp -116.81 98.4 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.57 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -36.23 141.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -126.09 178.58 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.45 -11.62 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -83.06 37.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.41 24.98 32.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.562 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -150.33 -161.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -141.91 161.73 37.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -140.4 142.35 35.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.2 p -52.61 167.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 1.6 mtpt -70.51 -9.72 57.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.447 HG23 ' NE ' ' A' ' 7' ' ' ARG . 12.0 t -96.78 -18.85 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.8 m -102.15 -31.98 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.85 -21.37 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.94 125.01 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.7 79.54 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.54 -15.77 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.21 137.97 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.7 OUTLIER -109.36 0.91 19.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 81.46 64.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.419 HG23 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -113.74 145.39 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.19 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.448 ' N ' HD22 ' A' ' 12' ' ' LEU . 9.0 t -43.62 151.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 14.09 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.543 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 23.2 mmm180 -138.33 -38.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.3 p -115.42 -5.38 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' HB3' ' A' ' 5' ' ' CYS . 2.3 mm-40 50.23 57.9 6.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 68.6 mt-10 -111.46 155.96 22.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.29 128.6 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 1.2 mm? -94.18 10.01 35.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -36.63 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -78.38 47.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 1.6 tp -129.68 -5.16 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 m 53.79 78.33 0.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.676 0.75 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.19 4.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.574 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -76.76 0.99 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.03 17.07 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 77.5 m-20 -115.4 26.86 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -104.16 101.8 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.9 t -38.58 140.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -94.36 2.15 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.86 -30.27 6.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.3 p -122.25 -25.71 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER 82.75 28.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.446 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 54.6 m-70 -111.81 162.33 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.89 142.46 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.38 112.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 26.3 p -48.99 179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.454 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 18.6 ptt180 -83.7 21.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -124.37 -23.07 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.0 m -97.15 11.81 35.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -105.27 154.14 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 mp -117.74 107.33 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -51.75 109.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.74 -24.86 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t 67.0 8.34 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.87 6.45 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.06 -14.66 19.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 42' ' ' TRP . 4.3 t -138.02 -158.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.402 ' N ' ' CG2' ' A' ' 41' ' ' THR . 66.7 p-90 -152.43 160.3 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.5 132.17 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.1 p -46.06 168.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -70.91 -5.87 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.543 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 12.4 t -98.8 -19.31 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.1 m -104.6 -30.37 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 -19.52 28.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -133.09 60.92 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER 174.21 -50.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER 34.94 90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -79.74 -50.36 10.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.0 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.862 0.363 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.4 m-20 -117.65 -7.21 11.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 2.5 mmt180 82.62 72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -119.36 143.25 47.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' N ' HD23 ' A' ' 12' ' ' LEU . 25.0 t -49.7 141.9 9.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.62 17.71 12.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HD2' ' CG2' ' A' ' 46' ' ' VAL . 8.3 mmt180 -131.85 -37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.1 p -119.2 -13.42 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' C ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 61.17 55.78 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -113.99 161.36 17.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.24 128.04 35.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -83.96 23.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.26 138.56 43.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.77 54.23 10.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 16' ' ' SER . 10.6 mt -130.78 -94.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.3 t 161.11 75.82 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.762 0.791 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 2.77 3.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -22.5 18.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 p -128.42 5.5 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -103.21 32.23 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -107.92 103.39 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.431 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 33.7 t -41.78 141.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -92.06 -14.35 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.72 -10.9 42.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 88.9 m -124.88 -32.17 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER 78.18 23.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -117.55 172.36 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.3 151.44 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -158.22 119.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.4 p -53.14 175.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.97 20.84 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -125.28 -12.86 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 m -106.15 8.73 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -99.52 138.82 36.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 1.7 mp -114.56 112.89 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.66 121.56 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.46 151.35 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.24 79.47 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.04 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.99 -6.69 3.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -121.65 -161.41 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 111.12 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.431 ' CZ3' ' HA ' ' A' ' 22' ' ' CYS . 55.5 p-90 -150.09 164.09 36.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.52 129.29 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.3 p -39.78 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -55.48 -36.47 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.441 ' CG2' ' HD2' ' A' ' 7' ' ' ARG . 24.1 t -66.78 -22.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.5 m -92.94 -51.74 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.66 -20.07 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 139.67 53.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.16 88.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -104.89 114.99 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -90.3 106.5 18.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -119.72 -7.58 10.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.78 66.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.418 HG23 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.83 143.63 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' N ' HD23 ' A' ' 12' ' ' LEU . 13.7 t -55.36 146.17 20.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.409 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -87.51 0.33 55.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 7' ' ' ARG . 6.2 mmm180 -123.7 -35.24 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.98 -27.02 13.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' C ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 64.86 27.18 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' C ' HG23 ' A' ' 4' ' ' THR . 2.3 mm-40 -107.23 147.21 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.5 t -52.18 131.44 32.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -77.76 -40.31 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 34.44 -129.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.73 91.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 16' ' ' SER . 15.5 tp -165.24 -93.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.5 p 160.27 78.81 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 2.74 3.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -96.42 -34.76 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.7 p -107.8 19.06 20.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -126.18 30.5 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' CYS . 41.5 m -102.6 94.37 5.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 49.2 t -34.52 127.54 0.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 6.76 7.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.07 -11.9 5.06 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.3 m -124.42 -31.62 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.807 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER 80.17 16.99 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -113.54 164.08 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 67.9 mt -75.44 148.1 39.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.46 117.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 27.9 p -49.1 178.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.43 8.14 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.95 -9.59 13.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.8 m -106.59 3.56 27.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 1.7 mtm180 -101.73 143.03 32.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 2.1 mp -114.22 113.71 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.66 111.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.12 163.16 16.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.1 p -89.24 20.24 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -113.33 17.0 18.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.69 0.09 79.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 t -121.56 -162.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.402 ' CE2' ' NH1' ' A' ' 34' ' ' ARG . 39.0 p-90 -149.31 154.47 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -145.92 139.28 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 p -43.38 166.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 2.6 mtpt -69.21 -15.5 63.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.51 -21.0 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.05 -48.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -15.58 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 50' ' ' GLU . 2.6 ttpm? -49.19 -65.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -160.67 24.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp 64.87 99.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.3 37.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 23.0 m-20 -122.74 -4.0 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 82.57 71.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.416 HG23 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -119.77 144.61 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.441 ' N ' HD23 ' A' ' 12' ' ' LEU . 23.5 t -53.55 142.54 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.51 8.91 20.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -129.57 -38.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.9 m -103.07 -24.61 13.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.416 ' C ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 65.68 23.58 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -101.63 134.51 44.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.15 148.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.783 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -94.56 32.39 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.892 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.83 123.9 4.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 43.29 82.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -151.41 -36.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.4 m 82.76 80.63 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.8 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 2.01 3.91 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -70.29 -20.99 62.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.2 p -139.72 26.16 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 16' ' ' SER . 88.5 m-20 -124.58 27.15 7.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -108.35 111.08 22.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.507 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 19.8 t -38.54 141.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -9.42 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.75 -11.38 21.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.6 m -121.77 -32.03 3.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER 78.22 20.36 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -114.06 163.99 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 mt -74.57 149.72 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -154.04 119.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' VAL . 26.4 p -48.82 178.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.1 mtt85 -86.87 18.8 3.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -127.36 -8.49 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.4 m -106.2 10.7 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 5.9 mtm180 -104.45 142.87 33.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.42 ' HB ' ' CB ' ' A' ' 48' ' ' ALA . 1.7 mp -113.99 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -49.29 119.52 3.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -100.21 167.88 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -92.93 9.5 35.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.84 1.08 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.16 62.67 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.386 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 42' ' ' TRP . 4.7 t -111.31 -157.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 111.122 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.507 ' CZ3' ' HA ' ' A' ' 22' ' ' CYS . 52.0 p-90 -150.95 153.8 35.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -138.81 131.57 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 p -39.99 160.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -61.41 -21.67 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -78.74 -24.17 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m -98.07 -54.38 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' LYS . . . -63.71 -15.25 57.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ALA . 6.9 tptt -34.28 -64.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -150.49 177.28 10.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.14 120.32 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.84 95.52 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER -119.86 -8.9 9.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.8 66.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.51 141.26 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' N ' HD21 ' A' ' 12' ' ' LEU . 9.4 t -43.17 151.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -101.03 5.03 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.457 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 7.0 mmm180 -123.28 -37.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.73 -12.36 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 58.38 57.46 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 21.1 mt-10 -118.62 153.99 33.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 t -59.24 137.68 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -101.9 25.03 9.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.79 -96.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -76.67 49.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 16' ' ' SER . 6.8 mt -126.18 -28.39 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.8 t 81.42 80.59 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 -1.56 8.75 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -80.72 -30.43 36.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -121.2 13.08 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 71.9 m-20 -109.32 20.85 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -98.9 114.61 27.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 41.6 t -49.11 132.6 19.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -84.88 8.86 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.828 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.62 -43.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.9 p -109.3 -21.23 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.8 11.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . 19.6 m-70 -94.29 157.0 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.2 138.89 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -148.01 111.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.1 p -49.17 179.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 10.7 ptt-85 -83.79 22.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -127.62 -8.35 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.9 m -114.99 19.11 16.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -110.01 147.37 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.489 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 1.3 mp -122.83 117.69 52.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.07 125.82 13.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -112.65 117.74 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -49.69 -27.17 4.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -44.67 -49.72 10.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.71 -33.89 0.32 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -117.61 -152.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.121 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CZ3' ' HA ' ' A' ' 22' ' ' CYS . 34.6 p-90 -129.89 152.67 49.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.59 139.6 33.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' CYS . 15.6 p -54.09 147.26 13.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -42.63 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.457 HG23 ' CZ ' ' A' ' 7' ' ' ARG . 15.9 t -58.56 -40.79 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' CYS . 5.0 m -78.21 -53.58 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -30.91 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.031 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.99 -36.94 56.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 68.92 142.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.66 -162.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.188 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -124.47 -78.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.843 0.354 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 -127.48 -8.22 5.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.81 63.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.415 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -116.13 149.23 39.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.3 15.86 7.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -134.17 -46.41 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.55 -19.71 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' C ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER 67.8 26.2 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' C ' HG22 ' A' ' 4' ' ' THR . 60.6 mt-10 -93.45 141.98 27.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -54.96 139.41 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' N ' HD21 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -94.33 10.04 35.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -35.0 -82.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -76.81 52.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 3.9 tp -146.22 15.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LEU . 57.8 m 35.5 75.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.447 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.81 65.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.735 2.29 . . . . 0.0 112.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -127.45 -8.29 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.78 13.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 82.2 m-20 -101.54 29.09 5.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -106.99 99.02 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.6 t -38.67 129.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -3.27 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.92 -47.46 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.8 p -106.14 -20.5 13.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER 79.61 20.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 48.5 m-70 -106.46 160.05 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.3 148.83 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.97 118.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 27.9 p -49.0 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.6 ptp180 -81.71 14.4 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -121.11 -10.95 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.5 m -105.37 12.28 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.3 mtm180 -98.9 137.43 37.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.423 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 1.5 mp -108.47 99.14 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -37.95 100.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -82.79 161.89 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.59 12.99 23.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -104.43 28.81 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.96 14.13 65.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 t -142.19 -156.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -145.54 153.89 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -139.52 132.34 29.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -43.34 165.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -72.59 -6.49 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.548 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 5.7 t -94.4 -21.31 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.0 m -101.09 -51.79 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.32 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.74 150.47 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -125.82 29.57 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' LEU . 6.1 mm 45.51 77.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 43.88 -92.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.789 0.328 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.81 66.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.491 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -118.8 140.98 49.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 t -41.62 153.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.63 5.26 39.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 9.3 mmm180 -123.33 -35.33 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.82 -10.28 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.71 58.46 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' C ' HG22 ' A' ' 4' ' ' THR . 24.0 mt-10 -117.01 153.75 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 135.5 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.505 HD13 ' HG ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -93.74 -44.22 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 36.73 -111.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -76.6 52.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -107.69 -36.91 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER 82.69 80.73 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 0.96 4.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.76 -32.67 73.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.81 0.89 2.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 5.3 m-20 -90.97 42.23 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' CYS . 97.6 m -126.51 107.88 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 35.5 t -36.72 126.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -77.32 -1.55 30.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.82 13.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 85.4 m -125.35 -32.63 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 81.54 14.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -108.06 169.65 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD13 ' HG ' ' A' ' 12' ' ' LEU . 36.1 mt -81.91 149.55 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.91 112.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 26.2 p -48.82 177.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.59 21.12 1.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -125.11 -13.58 6.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.455 ' HB2' HG12 ' A' ' 29' ' ' VAL . 67.4 m -106.85 8.64 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.553 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -103.67 140.77 37.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.688 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.7 mp -113.48 111.19 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.95 103.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -77.14 138.6 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -51.74 -20.75 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.652 HD21 HG22 ' A' ' 41' ' ' THR . 40.1 p30 -78.69 -158.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.02 45.42 1.58 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.708 HG23 ' N ' ' A' ' 42' ' ' TRP . 1.6 t -167.92 -158.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.19 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.708 ' N ' HG23 ' A' ' 41' ' ' THR . 37.3 p-90 -146.43 152.93 39.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -136.29 134.43 37.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 p -42.99 166.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.688 ' HE2' HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -66.12 -19.19 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 15.9 t -83.99 -20.2 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.62 -50.01 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . . . -65.58 -17.18 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.757 0.313 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.57 73.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.489 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -120.63 146.77 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.9 t -53.64 147.42 11.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -91.69 8.77 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 2.6 mmm-85 -127.33 -44.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 m -101.05 -22.88 14.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.489 ' C ' HG22 ' A' ' 4' ' ' THR . 0.4 OUTLIER 66.73 30.37 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.67 140.95 36.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t -46.1 142.01 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.646 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -88.54 26.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' LEU . . . -56.66 150.62 26.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.9 27.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -117.04 -10.41 10.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.448 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 59.35 74.27 0.6 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.09 6.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.6 -41.23 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 t -136.74 64.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 16' ' ' SER . 76.3 m-20 -135.33 12.29 3.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -89.5 106.87 18.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 t -42.69 133.2 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -83.7 -0.97 53.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.25 -42.71 3.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 3.4 p -111.93 -18.9 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 78.49 26.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.613 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 31.8 m170 -114.3 158.8 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.646 HD13 ' HG ' ' A' ' 12' ' ' LEU . 12.7 mt -74.45 150.09 40.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.794 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.65 119.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -51.23 -177.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 5.3 ptt180 -85.86 15.79 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -122.63 -15.04 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.794 ' HB2' HG12 ' A' ' 29' ' ' VAL . 91.4 m -102.34 10.41 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.2 mtt180 -98.95 137.51 37.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.6 mp -109.56 107.05 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.81 109.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.6 -0.76 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 44.07 74.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -174.12 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.62 -15.67 0.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 42' ' ' TRP . 6.4 t -125.82 -160.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.454 ' N ' HG23 ' A' ' 41' ' ' THR . 62.3 p-90 -159.77 159.99 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.13 133.17 21.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.8 p -45.88 171.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.704 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.5 mtpt -74.12 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 6.5 t -92.48 -20.94 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.0 m -100.0 -43.83 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -67.75 -24.84 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 61.9 m-20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER 82.68 67.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -114.86 144.97 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.164 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.8 t -56.63 144.23 32.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -87.44 1.18 54.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.401 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 7.5 mmm180 -123.31 -35.05 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.91 -25.8 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.27 36.35 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -114.51 154.48 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -52.74 139.68 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -90.22 -35.57 15.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.51 -125.19 5.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 76.0 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -127.21 -29.83 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.21 80.87 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.678 0.751 . . . . 0.0 110.811 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -7.58 21.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.99 -6.73 23.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.99 14.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' CG ' ' NH2' ' A' ' 34' ' ' ARG . 3.6 m-20 -114.82 26.87 9.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.1 m -109.0 103.87 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -41.77 130.84 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.42 -12.76 59.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.49 -11.67 40.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 96.8 m -127.48 -33.05 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 81.34 20.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 52.2 m-70 -113.21 162.49 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 3' ' ' ARG . 45.4 mt -74.86 151.06 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.33 117.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -48.89 176.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.64 19.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -126.43 -8.64 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' HB2' HG12 ' A' ' 29' ' ' VAL . 81.4 m -109.36 10.88 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' CG ' ' A' ' 20' ' ' ASN . 4.4 mtt180 -105.49 137.97 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.9 mp -109.26 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -50.98 122.59 7.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.63 122.72 46.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -42.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -38.93 -40.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.54 4.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t -116.05 -160.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.192 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.3 p-90 -149.26 154.91 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' CYS . 1.3 mmm-85 -144.71 132.65 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' ARG . 10.0 p -38.29 157.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.609 ' HA ' HD13 ' A' ' 35' ' ' ILE . 4.2 mtpt -58.19 -23.16 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 2.8 t -80.09 -20.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.3 m -98.9 -50.74 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -26.02 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.76 0.314 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 80.3 67.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.95 147.77 35.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.7 t -56.73 145.89 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -89.47 2.75 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 7.1 mmm180 -122.81 -39.75 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.8 m -101.82 -24.7 14.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.47 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 66.02 29.64 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.98 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.63 153.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 t -56.4 140.1 46.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.55 -37.97 17.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.94 -121.72 17.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.87 60.92 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -114.2 -26.26 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.9 t 80.7 80.66 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.88 19.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.246 . . . . 0.0 112.412 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -22.71 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -131.1 17.98 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.482 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 15.1 m-20 -114.96 7.0 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.7 m -87.47 98.36 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -38.52 127.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.32 7.94 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.98 -48.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.7 p -107.15 -20.12 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.9 m120 77.85 34.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 33.6 m170 -122.14 162.0 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 ' HG ' ' A' ' 12' ' ' LEU . 40.1 mt -75.9 144.83 40.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.597 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -150.62 117.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.3 p -48.03 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 19.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.98 -13.43 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.597 ' HB2' HG12 ' A' ' 29' ' ' VAL . 92.1 m -104.23 9.76 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.482 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 2.9 mtt180 -100.97 137.38 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.8 mp -105.54 104.81 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 114.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.15 171.23 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.34 5.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -96.82 17.47 16.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.28 12.27 84.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 t -135.32 -160.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 111.063 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -146.07 157.19 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.29 129.43 18.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.7 p -41.73 163.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.8 mtpt -69.37 -6.54 30.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.19 -18.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.5 m -106.26 -32.26 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.08 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 1.6 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.82 64.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.539 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -114.01 146.19 40.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.6 t -57.8 148.46 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -89.15 6.23 40.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.521 ' HD3' HG23 ' A' ' 46' ' ' VAL . 3.6 mmm-85 -128.27 -39.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 m -101.77 -21.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.539 ' C ' HG22 ' A' ' 4' ' ' THR . 2.3 mt-30 59.78 33.51 21.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 4' ' ' THR . 4.9 mt-10 -110.78 144.55 39.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -40.94 143.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.626 HD13 ' HG ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -95.94 -31.08 13.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 35.1 -119.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -73.21 67.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.799 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.626 ' HG ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -120.28 -36.36 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.2 t 82.71 80.81 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -0.93 7.64 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.226 . . . . 0.0 112.407 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -59.53 -36.82 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.43 0.83 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.493 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -86.85 30.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -116.6 102.47 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -37.55 127.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 10.8 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.78 -48.54 1.02 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.8 p -105.81 -20.69 13.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.2 m-20 79.79 32.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 50.5 m-70 -121.34 160.45 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HG ' ' A' ' 12' ' ' LEU . 97.0 mt -75.73 151.13 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.94 118.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -47.72 174.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.3 16.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.01 -11.51 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.486 ' HB2' HG12 ' A' ' 29' ' ' VAL . 65.7 m -106.01 13.38 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 1.1 mtt180 -104.57 138.64 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.488 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.8 mp -107.62 118.09 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.501 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -57.53 109.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.96 151.66 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.62 16.83 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -101.21 -3.74 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 15.59 25.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 42' ' ' TRP . 5.1 t -149.21 -158.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.131 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.57 ' N ' HG23 ' A' ' 41' ' ' THR . 45.1 p-90 -144.82 153.92 42.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.02 140.77 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -48.85 163.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HE2' HD11 ' A' ' 35' ' ' ILE . 3.9 mtpt -67.42 -8.5 33.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG23 ' HD3' ' A' ' 7' ' ' ARG . 15.4 t -96.0 -18.26 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.18 -31.67 8.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.68 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.061 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 14.4 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER 77.27 64.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -116.24 148.59 40.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.0 t -60.2 146.01 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -90.67 0.88 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.611 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.3 mmm180 -121.41 -35.47 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.0 m -105.33 -22.82 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 62.81 31.66 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' HG22 ' A' ' 4' ' ' THR . 3.3 mm-40 -106.18 161.28 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 p -62.03 139.91 58.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.629 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -89.13 31.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.63 123.31 2.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 35.05 67.33 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.629 HD13 HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -124.21 -26.88 3.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.6 t 82.69 78.48 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.636 0.731 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 3' ' ' ARG . 53.4 Cg_endo -69.77 -1.22 8.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -75.64 -17.41 60.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.52 20.28 2.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 16' ' ' SER . 3.7 m120 -114.03 18.62 17.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -100.9 96.19 7.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -39.12 125.03 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 2.72 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.52 -11.61 10.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 93.5 m -125.99 -29.71 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.1 m-20 81.46 13.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 57.4 m-70 -113.18 165.27 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 66.2 mt -76.59 154.35 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.12 118.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.7 p -49.05 172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 30.7 ptt180 -79.66 9.91 4.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.3 -14.55 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.588 ' HB2' HG12 ' A' ' 29' ' ' VAL . 90.9 m -103.83 3.14 33.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 4.3 mtm180 -94.57 133.57 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.4 mp -111.63 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -48.66 118.06 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -94.63 164.94 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 m -94.6 20.51 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.48 1.99 18.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.4 62.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.446 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -118.65 -159.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.725 0.297 . . . . 0.0 111.114 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -145.93 155.52 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -143.41 137.45 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.5 p -42.04 163.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.878 ' HA ' HD13 ' A' ' 35' ' ' ILE . 2.2 mtpt -64.27 -15.27 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 16.2 t -90.81 -18.04 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 4.2 m -98.46 -44.84 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.667 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -65.21 -23.6 67.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 77.88 64.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.535 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.84 149.64 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -58.46 143.13 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.686 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -87.09 9.03 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.686 ' HE ' ' HB3' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -131.75 -33.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.24 -25.8 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.535 ' C ' HG22 ' A' ' 4' ' ' THR . 0.8 OUTLIER 65.84 28.63 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.51 ' N ' HG22 ' A' ' 4' ' ' THR . 4.1 mt-10 -108.11 143.55 36.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -50.03 136.54 18.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -80.41 -35.65 34.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 -109.98 2.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.76 58.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -105.74 -21.74 13.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t 82.29 79.9 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.731 0.777 . . . . 0.0 110.812 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -3.7 12.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -30.42 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.06 7.53 8.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 65.7 m-20 -108.07 30.61 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' CYS . 18.8 m -109.22 98.35 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' THR . 43.5 t -36.2 125.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -3.2 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.22 -11.67 21.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 99.6 m -127.08 -33.03 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.897 0.379 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 81.12 22.74 0.33 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 64.8 m-70 -119.56 164.34 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD13 ' HG ' ' A' ' 12' ' ' LEU . 17.2 mt -75.28 144.09 42.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -148.51 114.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 30.8 p -47.17 173.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 39.8 ptt85 -79.6 6.97 9.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -110.78 -11.59 14.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.553 ' HB2' HG12 ' A' ' 29' ' ' VAL . 57.0 m -106.08 6.39 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.485 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -99.23 143.03 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 45' ' ' LYS . 2.0 mp -121.11 104.15 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -42.26 115.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.1 145.91 24.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -77.87 84.66 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.707 ' OD1' HG22 ' A' ' 41' ' ' THR . 17.9 p30 -178.53 -32.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.94 -2.99 5.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.707 HG22 ' OD1' ' A' ' 39' ' ' ASN . 11.0 t -118.16 -155.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.164 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.478 ' N ' HG23 ' A' ' 41' ' ' THR . 57.7 p-90 -158.39 154.88 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.94 139.21 32.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 p -48.21 160.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.753 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.6 mtpt -60.18 -20.24 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.96 -20.89 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 m -96.19 -47.5 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.8 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 82.77 61.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.566 HG22 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -111.71 139.98 46.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.0 t -46.22 146.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -94.19 10.49 33.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HD2' HG23 ' A' ' 46' ' ' VAL . 3.5 mmt85 -130.39 -34.68 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 m -106.96 -28.43 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.87 31.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.566 ' C ' HG22 ' A' ' 4' ' ' THR . 6.5 mm-40 -105.16 160.19 15.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -66.35 138.8 57.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.043 HD13 HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -89.72 20.88 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.51 143.75 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER 34.51 54.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.92 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.043 HD23 HD13 ' A' ' 12' ' ' LEU . 10.3 tp -134.74 -35.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER 82.36 80.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.684 0.755 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -76.19 -44.42 37.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.86 26.28 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -120.31 16.03 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -92.93 105.57 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -44.84 130.0 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.11 13.97 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.29 -45.07 0.95 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.7 p -107.7 -25.01 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.77 28.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 21.5 m170 -117.95 161.43 19.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 34.5 mt -74.34 146.39 43.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.642 HG12 ' CB ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.69 118.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.2 p -48.62 178.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.6 17.63 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -125.56 -12.38 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.642 ' CB ' HG12 ' A' ' 29' ' ' VAL . 37.1 m -99.41 -0.14 41.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -93.2 138.77 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.706 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.5 mp -107.76 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -43.61 104.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.39 179.38 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.1 m -110.17 8.55 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -96.32 3.87 52.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.48 -6.46 63.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -121.71 -158.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.413 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 66.6 p-90 -142.43 152.01 42.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -138.65 133.33 32.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.441 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 20.5 p -46.53 168.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.5 mtpt -71.92 -6.64 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 7' ' ' ARG . 14.5 t -98.49 -18.53 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.9 m -101.6 -35.63 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.69 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 76.2 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.38 70.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.544 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -121.95 144.81 48.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.2 t -46.58 152.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.407 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -101.67 6.9 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.581 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.1 mmm180 -123.79 -37.59 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.26 -13.13 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 59.51 58.0 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' C ' HG22 ' A' ' 4' ' ' THR . 1.9 mm-40 -116.37 155.47 28.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -60.06 133.66 56.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -93.31 15.25 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -46.14 136.24 8.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.565 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 34.87 47.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -125.76 -11.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.3 t 80.11 76.34 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.04 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -86.94 -56.3 3.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -80.51 -4.16 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' ND2' HD23 ' A' ' 15' ' ' LEU . 80.1 m-20 -96.07 42.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 m -118.95 105.64 11.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 42.5 t -44.33 129.04 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.01 12.66 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.21 -11.69 2.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 94.8 m -126.24 -32.62 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.815 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.0 m-20 82.26 16.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -106.98 171.22 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 28' ' ' LEU . 19.5 mt -83.58 144.85 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.501 HG13 ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -153.75 113.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 24.8 p -48.18 177.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 14.1 ptt85 -83.75 21.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.784 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -125.51 -11.96 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.443 ' HB2' HG12 ' A' ' 29' ' ' VAL . 66.1 m -109.23 15.97 22.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -107.2 142.38 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.771 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.7 mp -117.0 99.02 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.408 ' CD ' ' H ' ' A' ' 36' ' ' GLN . 3.8 mp0 -38.72 112.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.66 154.64 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -77.83 -7.92 57.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -75.76 0.89 16.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.15 -20.71 39.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 42' ' ' TRP . 6.6 t -116.85 -157.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.325 . . . . 0.0 111.184 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.506 ' N ' HG23 ' A' ' 41' ' ' THR . 20.8 p-90 -135.39 154.66 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -135.19 136.5 41.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.9 p -43.96 160.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.771 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.1 mtpt -63.5 -8.16 8.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.581 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 3.7 t -95.09 -22.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 m -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -63.26 -20.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 pttp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 12.4 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 78.12 67.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -119.31 144.08 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -49.83 147.27 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -96.96 17.14 17.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HD3' HG23 ' A' ' 46' ' ' VAL . 7.3 mmm-85 -133.36 -40.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.7 p -115.96 -13.94 11.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.42 ' C ' HG22 ' A' ' 4' ' ' THR . 2.6 mp0 61.89 57.07 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' N ' HG22 ' A' ' 4' ' ' THR . 17.9 mm-40 -116.31 152.23 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 132.87 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -92.48 21.92 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.23 148.1 33.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 40.21 38.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -124.05 -17.97 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.88 80.5 0.19 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 0.08 6.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.92 -27.52 54.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -128.29 26.91 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -115.22 13.77 16.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -96.66 106.82 19.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.5 t -43.22 132.08 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 16.88 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.37 -47.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.0 p -106.94 -20.32 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.1 t-20 80.32 26.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.434 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . 33.6 m170 -112.74 161.91 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.433 HD13 ' HG ' ' A' ' 12' ' ' LEU . 27.2 mt -77.04 148.7 36.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.04 112.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.0 p -49.34 179.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.3 19.96 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -127.15 -9.0 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.525 ' HB2' HG12 ' A' ' 29' ' ' VAL . 64.1 m -112.64 17.32 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.612 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -113.05 155.75 24.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.642 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.9 mp -120.66 118.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 92.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.75 150.65 42.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 t -92.95 38.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -127.34 17.06 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 20.13 60.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 42' ' ' TRP . 7.2 t -156.7 -161.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.14 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.9 p-90 -141.01 159.52 42.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.473 ' NE ' ' HB3' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -145.59 129.75 17.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.6 p -42.56 161.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HE2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -66.17 -5.71 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' HD3' ' A' ' 7' ' ' ARG . 12.0 t -99.17 -18.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' NE ' ' A' ' 43' ' ' ARG . 57.7 m -104.09 -36.46 7.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.14 -30.82 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.1 mmt180 80.63 67.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.533 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -122.14 140.84 52.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.0 t -48.12 151.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -95.42 6.43 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.588 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.3 mmm180 -123.78 -47.82 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.71 -18.83 15.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.533 ' C ' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER 67.85 31.16 5.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 5.6 mm-40 -93.69 143.68 26.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -51.24 146.83 6.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.625 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -108.14 27.43 9.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -37.0 -91.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.411 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -83.54 38.66 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -98.33 -32.54 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 82.7 80.7 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.704 0.764 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 1.25 4.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -74.73 -30.55 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.01 2.72 4.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.508 ' O ' HD23 ' A' ' 28' ' ' LEU . 3.8 m-20 -95.86 49.45 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -132.33 110.83 10.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.47 137.81 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.97 17.71 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.03 -45.75 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.0 p -106.56 -20.82 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.7 m120 76.87 27.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 31.6 m170 -113.83 161.53 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 ' HG ' ' A' ' 12' ' ' LEU . 48.9 mt -74.99 146.29 41.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.35 117.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.477 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 27.2 p -50.23 177.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -82.94 18.93 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -126.48 -8.44 6.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.681 ' HB2' HG12 ' A' ' 29' ' ' VAL . 68.1 m -107.36 9.84 29.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 22.5 mtt180 -98.84 134.18 42.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.521 HD11 ' CE ' ' A' ' 45' ' ' LYS . 1.8 mp -104.19 106.09 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.52 114.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 26.9 mm-40 -88.81 -23.72 22.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 0.2 OUTLIER 78.41 -46.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 37' ' ' GLU . 13.3 p30 -39.5 -31.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 39' ' ' ASN . . . 147.95 -12.21 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 42' ' ' TRP . 7.0 t -131.39 -156.57 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.773 0.32 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.509 ' N ' HG23 ' A' ' 41' ' ' THR . 61.9 p-90 -152.7 159.66 43.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.44 140.07 31.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.14 166.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' CE ' HD11 ' A' ' 35' ' ' ILE . 3.2 mtpt -68.51 -10.83 58.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.588 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 10.4 t -91.81 -23.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.0 m -99.63 -42.22 6.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -71.85 -35.49 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.2 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.332 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER 82.81 68.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.488 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -120.84 143.19 49.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 t -54.81 151.45 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -93.62 1.84 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.071 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 6.5 mmm180 -123.67 -40.87 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 m -101.02 -21.6 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.481 ' C ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER 65.64 27.29 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -96.76 150.4 20.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 145.39 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD13 HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -105.99 27.42 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.82 -94.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -83.14 58.1 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 30' ' ' CYS . 7.6 tp -136.38 3.01 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m 57.12 75.26 0.58 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.0 7.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -78.44 -29.18 46.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 p -119.22 23.61 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -117.65 20.37 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -98.65 96.07 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -38.29 131.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' NE ' ' OG1' ' A' ' 41' ' ' THR . 0.5 OUTLIER -85.3 21.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.81 -37.63 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.471 ' C ' ' CG ' ' A' ' 26' ' ' ASN . 4.0 p -116.73 -14.29 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.471 ' CG ' ' C ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER 74.53 20.87 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 29.9 m170 -106.19 157.24 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 27.0 mt -75.18 148.27 39.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.74 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.07 119.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' HD21 ' A' ' 15' ' ' LEU . 26.9 p -50.13 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HG3' HD11 ' A' ' 15' ' ' LEU . 7.2 mtm180 -85.52 18.04 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -126.46 -10.21 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.74 ' HB2' HG12 ' A' ' 29' ' ' VAL . 66.6 m -105.62 2.53 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 2.6 mtm180 -97.24 133.13 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.45 HD11 ' CE ' ' A' ' 45' ' ' LYS . 1.7 mp -106.23 124.76 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 1.7 mp0 -62.28 122.3 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -102.92 160.8 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -95.67 81.02 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -173.16 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.14 -0.65 3.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 42' ' ' TRP . 11.3 t -126.27 -157.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 111.161 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.461 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.7 p-90 -155.4 161.71 40.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.49 136.16 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.6 p -46.64 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CE ' HD11 ' A' ' 35' ' ' ILE . 3.5 mtpt -69.88 -9.17 53.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.427 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 5.5 t -94.75 -20.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.8 m -104.27 -37.78 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.28 -31.02 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.8 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 81.54 74.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.567 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -126.66 145.33 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.7 t -49.37 136.97 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.01 20.95 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.423 ' HG2' HG13 ' A' ' 29' ' ' VAL . 8.5 mmt180 -134.09 -48.67 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -104.63 -22.98 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.79 46.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -106.65 155.32 19.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.62 140.11 58.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -100.5 7.0 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.45 -90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.529 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -76.4 50.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.54 HD22 HD21 ' A' ' 20' ' ' ASN . 1.0 OUTLIER -141.03 12.12 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.2 80.58 0.28 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.748 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 66.29 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -139.32 -51.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.47 1.1 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.54 HD21 HD22 ' A' ' 15' ' ' LEU . 84.0 m-20 -97.24 30.21 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -108.01 112.94 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.48 129.41 28.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.662 ' NH1' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -79.75 -12.37 59.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.19 -12.16 43.25 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.2 m -124.24 -32.83 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 80.49 22.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -118.38 162.83 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' HG ' ' A' ' 12' ' ' LEU . 23.5 mt -76.46 147.68 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.36 117.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.47 ' HA ' HD13 ' A' ' 15' ' ' LEU . 22.5 p -50.97 176.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 26.2 ptt180 -83.93 22.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -126.44 -10.88 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' HB2' HG12 ' A' ' 29' ' ' VAL . 65.8 m -110.11 11.84 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -105.12 144.85 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.869 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.5 mp -113.87 95.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.408 ' CD ' ' H ' ' A' ' 36' ' ' GLN . 3.7 mp0 -40.97 113.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.1 -19.66 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.04 8.51 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -105.2 27.68 8.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.72 -13.55 59.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.662 HG21 ' NH1' ' A' ' 23' ' ' ARG . 10.7 t -152.04 -161.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.201 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -147.07 163.56 35.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.72 132.79 27.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 p -43.04 166.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.869 ' HA ' HD13 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -66.03 -19.31 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.402 HG23 ' HD2' ' A' ' 7' ' ' ARG . 4.1 t -82.47 -21.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.7 m -97.89 -52.38 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -70.22 -10.23 58.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.0 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.73 68.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.543 HG22 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -123.42 139.07 54.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.4 t -48.41 152.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -96.64 3.08 52.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.795 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.9 mmm180 -123.73 -40.13 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 m -100.96 -23.35 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.42 29.83 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.543 ' C ' HG22 ' A' ' 4' ' ' THR . 7.6 mt-10 -100.4 151.77 21.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 p -56.37 146.57 23.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.616 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -103.74 26.95 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.48 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 19.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 30' ' ' CYS . 3.1 mm? -75.69 -37.55 59.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.74 76.21 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.895 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 0.95 4.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -32.74 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.62 0.51 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -86.98 45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -125.7 105.18 8.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.5 128.13 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.48 4.24 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -49.99 1.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.4 p -105.08 -19.25 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 76.41 23.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 33.1 m170 -107.61 159.01 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.616 HD13 ' HG ' ' A' ' 12' ' ' LEU . 28.9 mt -74.25 141.79 45.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.521 HG12 ' CB ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -148.29 116.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HA ' HD12 ' A' ' 15' ' ' LEU . 26.6 p -46.81 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.9 mtm-85 -79.52 11.67 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -119.29 -8.46 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.521 ' CB ' HG12 ' A' ' 29' ' ' VAL . 55.6 m -107.67 6.2 27.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 14.9 mtm180 -94.83 139.08 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.9 mp -116.81 98.4 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' ILE . 3.8 mp0 -36.23 141.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -126.09 178.58 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.45 -11.62 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -83.06 37.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.41 24.98 32.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.562 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -150.33 -161.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -141.91 161.73 37.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -140.4 142.35 35.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.2 p -52.61 167.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.742 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.6 mtpt -70.51 -9.72 57.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.795 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 12.0 t -96.78 -18.85 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.8 m -102.15 -31.98 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.85 -21.37 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.775 0.321 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 81.46 64.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.487 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -113.74 145.39 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.19 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HB3' ' N ' ' A' ' 9' ' ' GLN . 9.0 t -43.62 151.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 14.09 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.543 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 23.2 mmm180 -138.33 -38.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.3 p -115.42 -5.38 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' HB3' ' A' ' 5' ' ' CYS . 2.3 mm-40 50.23 57.9 6.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 68.6 mt-10 -111.46 155.96 22.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.29 128.6 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 15' ' ' LEU . 1.2 mm? -94.18 10.01 35.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -36.63 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -78.38 47.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 12' ' ' LEU . 1.6 tp -129.68 -5.16 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 m 53.79 78.33 0.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.676 0.75 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.19 4.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -76.76 0.99 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.03 17.07 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 77.5 m-20 -115.4 26.86 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -104.16 101.8 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.9 t -38.58 140.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -94.36 2.15 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.86 -30.27 6.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.3 p -122.25 -25.71 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER 82.75 28.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -111.81 162.33 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.503 HD13 ' HG ' ' A' ' 12' ' ' LEU . 13.6 mt -77.89 142.46 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.483 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.38 112.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 26.3 p -48.99 179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 18.6 ptt180 -83.7 21.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -124.37 -23.07 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.483 ' HB2' HG12 ' A' ' 29' ' ' VAL . 67.0 m -97.15 11.81 35.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -105.27 154.14 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.726 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.7 mp -117.74 107.33 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -51.75 109.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.74 -24.86 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t 67.0 8.34 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.434 ' OD1' HG22 ' A' ' 41' ' ' THR . 0.6 OUTLIER -100.87 6.45 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.06 -14.66 19.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.591 HG23 ' N ' ' A' ' 42' ' ' TRP . 4.3 t -138.02 -158.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.591 ' N ' HG23 ' A' ' 41' ' ' THR . 66.7 p-90 -152.43 160.3 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.5 132.17 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.1 p -46.06 168.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.726 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.9 mtpt -70.91 -5.87 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.543 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 12.4 t -98.8 -19.31 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.1 m -104.6 -30.37 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 -19.52 28.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.4 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 2.5 mmt180 82.62 72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.452 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.36 143.25 47.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.0 t -49.7 141.9 9.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.62 17.71 12.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.553 ' HD2' HG23 ' A' ' 46' ' ' VAL . 8.3 mmt180 -131.85 -37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.1 p -119.2 -13.42 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.17 55.78 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 4' ' ' THR . 17.8 mm-40 -113.99 161.36 17.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.24 128.04 35.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -83.96 23.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.26 138.56 43.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.77 54.23 10.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 12' ' ' LEU . 10.6 mt -130.78 -94.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.3 t 161.11 75.82 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.762 0.791 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 2.77 3.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -22.5 18.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 p -128.42 5.5 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -103.21 32.23 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -107.92 103.39 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 33.7 t -41.78 141.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -92.06 -14.35 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.72 -10.9 42.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 88.9 m -124.88 -32.17 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.4 OUTLIER 78.18 23.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -117.55 172.36 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' C ' HG22 ' A' ' 29' ' ' VAL . 17.4 mt -79.3 151.44 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -158.22 119.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.4 p -53.14 175.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.97 20.84 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -125.28 -12.86 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 m -106.15 8.73 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.605 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -99.52 138.82 36.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.605 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.7 mp -114.56 112.89 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.66 121.56 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.46 151.35 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.24 79.47 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.04 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.99 -6.69 3.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -121.65 -161.41 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 111.12 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CZ3' ' HA ' ' A' ' 22' ' ' CYS . 55.5 p-90 -150.09 164.09 36.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.52 129.29 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.3 p -39.78 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HA ' HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -55.48 -36.47 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 ' HD2' ' A' ' 7' ' ' ARG . 24.1 t -66.78 -22.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.5 m -92.94 -51.74 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -64.66 -20.07 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.78 66.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.46 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.83 143.63 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.7 t -55.36 146.17 20.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -87.51 0.33 55.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 6.2 mmm180 -123.7 -35.24 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.98 -27.02 13.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.46 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 64.86 27.18 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' N ' HG22 ' A' ' 4' ' ' THR . 2.3 mm-40 -107.23 147.21 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.5 t -52.18 131.44 32.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.037 HD13 HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -77.76 -40.31 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 34.44 -129.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.73 91.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.037 HD23 HD13 ' A' ' 12' ' ' LEU . 15.5 tp -165.24 -93.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.5 p 160.27 78.81 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' CB ' ' HD2' ' A' ' 3' ' ' ARG . 53.8 Cg_endo -69.79 2.74 3.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -96.42 -34.76 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.7 p -107.8 19.06 20.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.41 HD21 HD11 ' A' ' 15' ' ' LEU . 73.7 m-20 -126.18 30.5 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' CYS . 41.5 m -102.6 94.37 5.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 49.2 t -34.52 127.54 0.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 6.76 7.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.07 -11.9 5.06 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.3 m -124.42 -31.62 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.807 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.4 t-20 80.17 16.99 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 70.9 m-70 -113.54 164.08 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 3' ' ' ARG . 67.9 mt -75.44 148.1 39.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.46 117.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 27.9 p -49.1 178.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.43 8.14 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.95 -9.59 13.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB2' HG12 ' A' ' 29' ' ' VAL . 56.8 m -106.59 3.56 27.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 1.7 mtm180 -101.73 143.03 32.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.694 HD13 ' HA ' ' A' ' 45' ' ' LYS . 2.1 mp -114.22 113.71 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.66 111.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.12 163.16 16.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.1 p -89.24 20.24 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -113.33 17.0 18.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.69 0.09 79.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 t -121.56 -162.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.402 ' CE2' ' NH1' ' A' ' 34' ' ' ARG . 39.0 p-90 -149.31 154.47 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -145.92 139.28 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 p -43.38 166.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.694 ' HA ' HD13 ' A' ' 35' ' ' ILE . 2.6 mtpt -69.21 -15.5 63.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.51 -21.0 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.05 -48.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -15.58 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 23.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.811 0.338 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 82.57 71.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.521 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.77 144.61 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.5 t -53.55 142.54 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -86.51 8.91 20.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.461 ' NH1' HG21 ' A' ' 46' ' ' VAL . 11.2 mmt180 -129.57 -38.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.9 m -103.07 -24.61 13.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.508 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 65.68 23.58 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -101.63 134.51 44.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.15 148.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.783 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.574 ' CD1' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -94.56 32.39 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.892 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.83 123.9 4.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 43.29 82.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.62 HD23 ' OD1' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -151.41 -36.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.4 m 82.76 80.63 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.8 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 2.01 3.91 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -70.29 -20.99 62.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.2 p -139.72 26.16 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.62 ' OD1' HD23 ' A' ' 15' ' ' LEU . 21.5 m120 -124.58 27.15 7.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -108.35 111.08 22.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 19.8 t -38.54 141.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HD3' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -89.82 -9.42 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.75 -11.38 21.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.6 m -121.77 -32.03 3.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER 78.22 20.36 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 67.3 m-70 -114.06 163.99 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD13 ' HG ' ' A' ' 12' ' ' LEU . 28.7 mt -74.57 149.72 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.04 119.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' VAL . 26.4 p -48.82 178.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.1 mtt85 -86.87 18.8 3.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -127.36 -8.49 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.481 ' HB2' HG12 ' A' ' 29' ' ' VAL . 60.4 m -106.2 10.7 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.563 ' C ' HD12 ' A' ' 35' ' ' ILE . 5.9 mtm180 -104.45 142.87 33.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.563 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.7 mp -113.99 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -49.29 119.52 3.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -100.21 167.88 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -92.93 9.5 35.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.84 1.08 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.16 62.67 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.386 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.671 HG21 ' HD3' ' A' ' 23' ' ' ARG . 4.7 t -111.31 -157.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 111.122 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.62 ' N ' HG23 ' A' ' 41' ' ' THR . 52.0 p-90 -150.95 153.8 35.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -138.81 131.57 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 p -39.99 160.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.529 ' CE ' HD11 ' A' ' 35' ' ' ILE . 4.6 mtpt -61.41 -21.67 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.461 HG21 ' NH1' ' A' ' 7' ' ' ARG . 1.5 t -78.74 -24.17 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m -98.07 -54.38 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' LYS . . . -63.71 -15.25 57.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ALA . 6.9 tptt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.844 0.354 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.8 66.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.468 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -116.51 141.26 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.4 t -43.17 151.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -101.03 5.03 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.699 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 7.0 mmm180 -123.28 -37.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.73 -12.36 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 58.38 57.46 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.473 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 21.1 mt-10 -118.62 153.99 33.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 t -59.24 137.68 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -101.9 25.03 9.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.79 -96.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -76.67 49.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 16' ' ' SER . 6.8 mt -126.18 -28.39 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.8 t 81.42 80.59 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 -1.56 8.75 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -80.72 -30.43 36.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -121.2 13.08 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 71.9 m-20 -109.32 20.85 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -98.9 114.61 27.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 41.6 t -49.11 132.6 19.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -84.88 8.86 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.828 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.62 -43.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.9 p -109.3 -21.23 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.8 11.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . 19.6 m-70 -94.29 157.0 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.2 138.89 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -148.01 111.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.1 p -49.17 179.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.475 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 10.7 ptt-85 -83.79 22.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -127.62 -8.35 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.461 ' HB2' HG12 ' A' ' 29' ' ' VAL . 94.9 m -114.99 19.11 16.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.889 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -110.01 147.37 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.889 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.3 mp -122.83 117.69 52.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.07 125.82 13.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -112.65 117.74 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -49.69 -27.17 4.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -44.67 -49.72 10.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.71 -33.89 0.32 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 42' ' ' TRP . 12.2 t -117.61 -152.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.121 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' N ' HG23 ' A' ' 41' ' ' THR . 34.6 p-90 -129.89 152.67 49.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.59 139.6 33.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' CYS . 15.6 p -54.09 147.26 13.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' N ' HD13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -38.88 -42.63 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.699 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 15.9 t -58.56 -40.79 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' CYS . 5.0 m -78.21 -53.58 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -30.91 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.031 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.81 63.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.536 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -116.13 149.23 39.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -88.3 15.86 7.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -134.17 -46.41 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.55 -19.71 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.536 ' C ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER 67.8 26.2 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -93.45 141.98 27.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -54.96 139.41 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -94.33 10.04 35.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -35.0 -82.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -76.81 52.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 12' ' ' LEU . 3.9 tp -146.22 15.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LEU . 57.8 m 35.5 75.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.81 65.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.735 2.29 . . . . 0.0 112.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -127.45 -8.29 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.78 13.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 82.2 m-20 -101.54 29.09 5.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -106.99 99.02 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.6 t -38.67 129.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -3.27 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.92 -47.46 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.8 p -106.14 -20.5 13.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER 79.61 20.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 32.3 m170 -106.46 160.05 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.643 HD13 ' HG ' ' A' ' 12' ' ' LEU . 16.9 mt -75.3 148.83 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.685 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.97 118.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.561 ' HA ' HD21 ' A' ' 15' ' ' LEU . 27.9 p -49.0 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.6 ptp180 -81.71 14.4 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -121.11 -10.95 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.685 ' HB2' HG12 ' A' ' 29' ' ' VAL . 57.5 m -105.37 12.28 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.3 mtm180 -98.9 137.43 37.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.674 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.5 mp -108.47 99.14 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -37.95 100.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -82.79 161.89 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.59 12.99 23.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -104.43 28.81 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.96 14.13 65.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 42' ' ' TRP . 5.7 t -142.19 -156.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' N ' HG23 ' A' ' 41' ' ' THR . 49.2 p-90 -145.54 153.89 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HB2' ' HB2' ' A' ' 48' ' ' ALA . 3.4 mmt85 -139.52 132.34 29.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -43.34 165.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.674 ' HE2' HD11 ' A' ' 35' ' ' ILE . 2.1 mtpt -72.59 -6.49 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.548 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 5.7 t -94.4 -21.31 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.0 m -101.09 -51.79 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 43' ' ' ARG . . . -67.23 -32.32 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.847 0.356 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m-20 -120.29 -6.03 9.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.81 66.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.491 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -118.8 140.98 49.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 t -41.62 153.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.63 5.26 39.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 9.3 mmm180 -123.33 -35.33 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.82 -10.28 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.71 58.46 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' C ' HG22 ' A' ' 4' ' ' THR . 24.0 mt-10 -117.01 153.75 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 135.5 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.505 HD13 ' HG ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -93.74 -44.22 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 36.73 -111.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -76.6 52.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -107.69 -36.91 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER 82.69 80.73 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 0.96 4.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.76 -32.67 73.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.81 0.89 2.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 5.3 m-20 -90.97 42.23 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' CYS . 97.6 m -126.51 107.88 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 35.5 t -36.72 126.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -77.32 -1.55 30.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.82 13.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 85.4 m -125.35 -32.63 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 81.54 14.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -108.06 169.65 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD13 ' HG ' ' A' ' 12' ' ' LEU . 36.1 mt -81.91 149.55 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.91 112.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 26.2 p -48.82 177.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.59 21.12 1.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -125.11 -13.58 6.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.455 ' HB2' HG12 ' A' ' 29' ' ' VAL . 67.4 m -106.85 8.64 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.553 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -103.67 140.77 37.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.688 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.7 mp -113.48 111.19 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.95 103.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -77.14 138.6 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -51.74 -20.75 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.652 HD21 HG22 ' A' ' 41' ' ' THR . 40.1 p30 -78.69 -158.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.02 45.42 1.58 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.708 HG23 ' N ' ' A' ' 42' ' ' TRP . 1.6 t -167.92 -158.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.19 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.708 ' N ' HG23 ' A' ' 41' ' ' THR . 37.3 p-90 -146.43 152.93 39.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -136.29 134.43 37.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 p -42.99 166.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.688 ' HE2' HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -66.12 -19.19 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 15.9 t -83.99 -20.2 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.62 -50.01 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . . . -65.58 -17.18 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -54.28 173.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -86.92 88.93 7.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 tt -172.13 145.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -122.13 -178.97 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.91 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.2 OUTLIER -117.85 -5.75 11.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.57 73.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.489 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -120.63 146.77 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.9 t -53.64 147.42 11.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -91.69 8.77 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 2.6 mmm-85 -127.33 -44.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 m -101.05 -22.88 14.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.489 ' C ' HG22 ' A' ' 4' ' ' THR . 0.4 OUTLIER 66.73 30.37 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.67 140.95 36.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t -46.1 142.01 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.646 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -88.54 26.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' LEU . . . -56.66 150.62 26.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.9 27.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -117.04 -10.41 10.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.448 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 59.35 74.27 0.6 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.09 6.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.6 -41.23 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 t -136.74 64.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 16' ' ' SER . 76.3 m-20 -135.33 12.29 3.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -89.5 106.87 18.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 t -42.69 133.2 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -83.7 -0.97 53.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.25 -42.71 3.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 3.4 p -111.93 -18.9 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 78.49 26.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.613 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 31.8 m170 -114.3 158.8 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.646 HD13 ' HG ' ' A' ' 12' ' ' LEU . 12.7 mt -74.45 150.09 40.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.794 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.65 119.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -51.23 -177.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 5.3 ptt180 -85.86 15.79 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -122.63 -15.04 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.794 ' HB2' HG12 ' A' ' 29' ' ' VAL . 91.4 m -102.34 10.41 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.2 mtt180 -98.95 137.51 37.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.6 mp -109.56 107.05 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.81 109.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.6 -0.76 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 44.07 74.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -174.12 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.62 -15.67 0.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 42' ' ' TRP . 6.4 t -125.82 -160.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.454 ' N ' HG23 ' A' ' 41' ' ' THR . 62.3 p-90 -159.77 159.99 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.13 133.17 21.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.8 p -45.88 171.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.704 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.5 mtpt -74.12 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 6.5 t -92.48 -20.94 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.0 m -100.0 -43.83 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -67.75 -24.84 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -58.28 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -177.63 65.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -45.73 -28.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.18 162.01 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.845 0.355 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 61.9 m-20 -121.25 -6.98 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER 82.68 67.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -114.86 144.97 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.164 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.8 t -56.63 144.23 32.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -87.44 1.18 54.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.401 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 7.5 mmm180 -123.31 -35.05 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.91 -25.8 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.27 36.35 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -114.51 154.48 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -52.74 139.68 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -90.22 -35.57 15.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.51 -125.19 5.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 76.0 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -127.21 -29.83 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.21 80.87 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.678 0.751 . . . . 0.0 110.811 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -7.58 21.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.99 -6.73 23.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.99 14.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' CG ' ' NH2' ' A' ' 34' ' ' ARG . 3.6 m-20 -114.82 26.87 9.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.1 m -109.0 103.87 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -41.77 130.84 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.42 -12.76 59.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.49 -11.67 40.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 96.8 m -127.48 -33.05 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 81.34 20.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 52.2 m-70 -113.21 162.49 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 3' ' ' ARG . 45.4 mt -74.86 151.06 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.33 117.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -48.89 176.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.64 19.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -126.43 -8.64 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.406 ' HB2' HG12 ' A' ' 29' ' ' VAL . 81.4 m -109.36 10.88 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' CG ' ' A' ' 20' ' ' ASN . 4.4 mtt180 -105.49 137.97 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.9 mp -109.26 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -50.98 122.59 7.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.63 122.72 46.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -42.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -38.93 -40.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.54 4.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t -116.05 -160.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.192 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.3 p-90 -149.26 154.91 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' CYS . 1.3 mmm-85 -144.71 132.65 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' ARG . 10.0 p -38.29 157.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.609 ' HA ' HD13 ' A' ' 35' ' ' ILE . 4.2 mtpt -58.19 -23.16 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 2.8 t -80.09 -20.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.3 m -98.9 -50.74 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -26.02 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 124.31 52.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.42 84.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 tt -71.04 138.54 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 118.53 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.892 0.377 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 m-20 -120.06 -5.76 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 80.3 67.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.95 147.77 35.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.7 t -56.73 145.89 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -89.47 2.75 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 7.1 mmm180 -122.81 -39.75 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.8 m -101.82 -24.7 14.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 66.02 29.64 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.98 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.63 153.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 t -56.4 140.1 46.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.55 -37.97 17.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.94 -121.72 17.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.87 60.92 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -114.2 -26.26 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.9 t 80.7 80.66 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.88 19.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.246 . . . . 0.0 112.412 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -22.71 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -131.1 17.98 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.482 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 15.1 m-20 -114.96 7.0 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.7 m -87.47 98.36 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -38.52 127.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.32 7.94 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.98 -48.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.7 p -107.15 -20.12 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.9 m120 77.85 34.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 33.6 m170 -122.14 162.0 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 ' HG ' ' A' ' 12' ' ' LEU . 40.1 mt -75.9 144.83 40.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -150.62 117.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.3 p -48.03 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 19.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.98 -13.43 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.597 ' HB2' HG12 ' A' ' 29' ' ' VAL . 92.1 m -104.23 9.76 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 2.9 mtt180 -100.97 137.38 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.8 mp -105.54 104.81 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 114.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.15 171.23 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.34 5.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -96.82 17.47 16.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.28 12.27 84.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 t -135.32 -160.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 111.063 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -146.07 157.19 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.29 129.43 18.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.7 p -41.73 163.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.8 mtpt -69.37 -6.54 30.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.19 -18.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.5 m -106.26 -32.26 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.08 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -127.11 122.37 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -85.43 152.68 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.7 tt -157.13 149.65 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 41.25 82.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 1.6 m-20 -124.26 -6.7 7.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.82 64.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.539 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -114.01 146.19 40.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.6 t -57.8 148.46 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -89.15 6.23 40.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.521 ' HD3' HG23 ' A' ' 46' ' ' VAL . 3.6 mmm-85 -128.27 -39.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 m -101.77 -21.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.539 ' C ' HG22 ' A' ' 4' ' ' THR . 2.3 mt-30 59.78 33.51 21.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 4' ' ' THR . 4.9 mt-10 -110.78 144.55 39.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -40.94 143.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.626 HD13 ' HG ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -95.94 -31.08 13.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 35.1 -119.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -73.21 67.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.799 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.626 ' HG ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -120.28 -36.36 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.2 t 82.71 80.81 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -0.93 7.64 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.226 . . . . 0.0 112.407 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -59.53 -36.82 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.43 0.83 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.493 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -86.85 30.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -116.6 102.47 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -37.55 127.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 10.8 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.78 -48.54 1.02 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.8 p -105.81 -20.69 13.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.2 m-20 79.79 32.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 50.5 m-70 -121.34 160.45 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HG ' ' A' ' 12' ' ' LEU . 97.0 mt -75.73 151.13 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.94 118.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -47.72 174.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.3 16.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.01 -11.51 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' HB2' HG12 ' A' ' 29' ' ' VAL . 65.7 m -106.01 13.38 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 1.1 mtt180 -104.57 138.64 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.488 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.8 mp -107.62 118.09 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.501 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -57.53 109.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.96 151.66 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.62 16.83 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -101.21 -3.74 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 15.59 25.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 42' ' ' TRP . 5.1 t -149.21 -158.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.131 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.57 ' N ' HG23 ' A' ' 41' ' ' THR . 45.1 p-90 -144.82 153.92 42.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.02 140.77 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -48.85 163.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HE2' HD11 ' A' ' 35' ' ' ILE . 3.9 mtpt -67.42 -8.5 33.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG23 ' HD3' ' A' ' 7' ' ' ARG . 15.4 t -96.0 -18.26 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.18 -31.67 8.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.68 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.061 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.69 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.5 82.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -159.16 126.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.05 135.66 54.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.782 0.325 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 14.4 m-20 -116.63 5.12 13.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER 77.27 64.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -116.24 148.59 40.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.0 t -60.2 146.01 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -90.67 0.88 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.611 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.3 mmm180 -121.41 -35.47 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.0 m -105.33 -22.82 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 62.81 31.66 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' HG22 ' A' ' 4' ' ' THR . 3.3 mm-40 -106.18 161.28 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 p -62.03 139.91 58.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.629 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -89.13 31.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.63 123.31 2.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 35.05 67.33 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.629 HD13 HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -124.21 -26.88 3.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.6 t 82.69 78.48 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.636 0.731 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 3' ' ' ARG . 53.4 Cg_endo -69.77 -1.22 8.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -75.64 -17.41 60.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.52 20.28 2.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 16' ' ' SER . 3.7 m120 -114.03 18.62 17.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -100.9 96.19 7.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -39.12 125.03 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 2.72 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.52 -11.61 10.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 93.5 m -125.99 -29.71 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.1 m-20 81.46 13.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 57.4 m-70 -113.18 165.27 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 66.2 mt -76.59 154.35 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.12 118.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.7 p -49.05 172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 30.7 ptt180 -79.66 9.91 4.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.3 -14.55 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.588 ' HB2' HG12 ' A' ' 29' ' ' VAL . 90.9 m -103.83 3.14 33.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 4.3 mtm180 -94.57 133.57 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.4 mp -111.63 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -48.66 118.06 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -94.63 164.94 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 m -94.6 20.51 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.48 1.99 18.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.4 62.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.446 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -118.65 -159.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.725 0.297 . . . . 0.0 111.114 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -145.93 155.52 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -143.41 137.45 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.5 p -42.04 163.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.878 ' HA ' HD13 ' A' ' 35' ' ' ILE . 2.2 mtpt -64.27 -15.27 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 16.2 t -90.81 -18.04 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 4.2 m -98.46 -44.84 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.667 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -65.21 -23.6 67.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -97.87 53.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.16 135.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 pt -145.23 17.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -115.69 52.61 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.927 0.394 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 -112.21 0.32 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 77.88 64.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.535 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.84 149.64 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -58.46 143.13 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.686 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -87.09 9.03 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.686 ' HE ' ' HB3' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -131.75 -33.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.24 -25.8 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.535 ' C ' HG22 ' A' ' 4' ' ' THR . 0.8 OUTLIER 65.84 28.63 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.51 ' N ' HG22 ' A' ' 4' ' ' THR . 4.1 mt-10 -108.11 143.55 36.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -50.03 136.54 18.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -80.41 -35.65 34.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 -109.98 2.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.76 58.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -105.74 -21.74 13.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t 82.29 79.9 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.731 0.777 . . . . 0.0 110.812 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -3.7 12.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -30.42 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.06 7.53 8.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 65.7 m-20 -108.07 30.61 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' CYS . 18.8 m -109.22 98.35 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' THR . 43.5 t -36.2 125.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -3.2 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.22 -11.67 21.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 99.6 m -127.08 -33.03 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.897 0.379 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 81.12 22.74 0.33 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 64.8 m-70 -119.56 164.34 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD13 ' HG ' ' A' ' 12' ' ' LEU . 17.2 mt -75.28 144.09 42.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -148.51 114.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 30.8 p -47.17 173.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 39.8 ptt85 -79.6 6.97 9.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -110.78 -11.59 14.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.553 ' HB2' HG12 ' A' ' 29' ' ' VAL . 57.0 m -106.08 6.39 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.485 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -99.23 143.03 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 45' ' ' LYS . 2.0 mp -121.11 104.15 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -42.26 115.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.1 145.91 24.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -77.87 84.66 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.707 ' OD1' HG22 ' A' ' 41' ' ' THR . 17.9 p30 -178.53 -32.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.94 -2.99 5.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.707 HG22 ' OD1' ' A' ' 39' ' ' ASN . 11.0 t -118.16 -155.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.164 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.478 ' N ' HG23 ' A' ' 41' ' ' THR . 57.7 p-90 -158.39 154.88 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.94 139.21 32.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 p -48.21 160.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.753 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.6 mtpt -60.18 -20.24 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.96 -20.89 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 m -96.19 -47.5 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.8 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.21 -52.86 2.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 61.58 81.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 tt -112.37 2.67 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.508 ' O ' HD13 ' A' ' 53' ' ' LEU . 2.7 mt-10 -124.05 -13.64 7.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 52' ' ' GLU . 1.2 mm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -113.72 0.63 14.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 82.77 61.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.566 HG22 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -111.71 139.98 46.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.0 t -46.22 146.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -94.19 10.49 33.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HD2' HG23 ' A' ' 46' ' ' VAL . 3.5 mmt85 -130.39 -34.68 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 m -106.96 -28.43 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.87 31.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.566 ' C ' HG22 ' A' ' 4' ' ' THR . 6.5 mm-40 -105.16 160.19 15.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -66.35 138.8 57.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.043 HD13 HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -89.72 20.88 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.51 143.75 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER 34.51 54.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.92 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.043 HD23 HD13 ' A' ' 12' ' ' LEU . 10.3 tp -134.74 -35.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER 82.36 80.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.684 0.755 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -76.19 -44.42 37.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.86 26.28 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -120.31 16.03 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -92.93 105.57 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -44.84 130.0 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.11 13.97 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.29 -45.07 0.95 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.7 p -107.7 -25.01 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.77 28.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 21.5 m170 -117.95 161.43 19.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 34.5 mt -74.34 146.39 43.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.642 HG12 ' CB ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.69 118.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.2 p -48.62 178.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.6 17.63 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -125.56 -12.38 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.642 ' CB ' HG12 ' A' ' 29' ' ' VAL . 37.1 m -99.41 -0.14 41.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -93.2 138.77 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.706 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.5 mp -107.76 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -43.61 104.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.39 179.38 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.1 m -110.17 8.55 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -96.32 3.87 52.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.48 -6.46 63.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -121.71 -158.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.413 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 66.6 p-90 -142.43 152.01 42.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -138.65 133.33 32.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.441 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 20.5 p -46.53 168.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.5 mtpt -71.92 -6.64 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 7' ' ' ARG . 14.5 t -98.49 -18.53 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.9 m -101.6 -35.63 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.69 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -69.12 -30.07 68.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 76.31 127.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.03 -77.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.34 -39.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.97 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 76.2 m-20 -111.12 -3.73 15.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.38 70.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.544 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -121.95 144.81 48.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.2 t -46.58 152.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.407 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -101.67 6.9 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.581 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.1 mmm180 -123.79 -37.59 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.26 -13.13 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 59.51 58.0 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' C ' HG22 ' A' ' 4' ' ' THR . 1.9 mm-40 -116.37 155.47 28.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -60.06 133.66 56.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -93.31 15.25 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -46.14 136.24 8.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.565 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 34.87 47.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -125.76 -11.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.3 t 80.11 76.34 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.04 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -86.94 -56.3 3.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -80.51 -4.16 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' ND2' HD23 ' A' ' 15' ' ' LEU . 80.1 m-20 -96.07 42.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 m -118.95 105.64 11.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 42.5 t -44.33 129.04 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.01 12.66 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.21 -11.69 2.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 94.8 m -126.24 -32.62 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.815 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.0 m-20 82.26 16.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -106.98 171.22 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 28' ' ' LEU . 19.5 mt -83.58 144.85 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.501 HG13 ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -153.75 113.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 24.8 p -48.18 177.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 14.1 ptt85 -83.75 21.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.784 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -125.51 -11.96 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' HB2' HG12 ' A' ' 29' ' ' VAL . 66.1 m -109.23 15.97 22.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -107.2 142.38 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.771 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.7 mp -117.0 99.02 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' CD ' ' H ' ' A' ' 36' ' ' GLN . 3.8 mp0 -38.72 112.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.66 154.64 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -77.83 -7.92 57.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -75.76 0.89 16.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.15 -20.71 39.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 42' ' ' TRP . 6.6 t -116.85 -157.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.325 . . . . 0.0 111.184 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.506 ' N ' HG23 ' A' ' 41' ' ' THR . 20.8 p-90 -135.39 154.66 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -135.19 136.5 41.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.9 p -43.96 160.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.771 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.1 mtpt -63.5 -8.16 8.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.581 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 3.7 t -95.09 -22.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 m -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -63.26 -20.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -84.12 -29.61 26.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.04 -153.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.84 -20.74 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 59.44 157.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.456 ' C ' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.886 0.374 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 12.4 m-20 -110.72 7.09 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 78.12 67.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -119.31 144.08 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -49.83 147.27 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -96.96 17.14 17.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HD3' HG23 ' A' ' 46' ' ' VAL . 7.3 mmm-85 -133.36 -40.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.7 p -115.96 -13.94 11.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.42 ' C ' HG22 ' A' ' 4' ' ' THR . 2.6 mp0 61.89 57.07 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' N ' HG22 ' A' ' 4' ' ' THR . 17.9 mm-40 -116.31 152.23 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 132.87 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -92.48 21.92 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.23 148.1 33.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 40.21 38.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -124.05 -17.97 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.88 80.5 0.19 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 0.08 6.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.92 -27.52 54.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -128.29 26.91 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -115.22 13.77 16.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -96.66 106.82 19.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.5 t -43.22 132.08 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 16.88 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.37 -47.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.0 p -106.94 -20.32 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.1 t-20 80.32 26.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . 33.6 m170 -112.74 161.91 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.433 HD13 ' HG ' ' A' ' 12' ' ' LEU . 27.2 mt -77.04 148.7 36.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.04 112.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.0 p -49.34 179.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.3 19.96 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -127.15 -9.0 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.525 ' HB2' HG12 ' A' ' 29' ' ' VAL . 64.1 m -112.64 17.32 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.612 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -113.05 155.75 24.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.642 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.9 mp -120.66 118.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 92.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.75 150.65 42.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 t -92.95 38.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -127.34 17.06 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 20.13 60.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 42' ' ' TRP . 7.2 t -156.7 -161.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.14 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.9 p-90 -141.01 159.52 42.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' NE ' ' HB3' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -145.59 129.75 17.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.6 p -42.56 161.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HE2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -66.17 -5.71 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' HD3' ' A' ' 7' ' ' ARG . 12.0 t -99.17 -18.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' NE ' ' A' ' 43' ' ' ARG . 57.7 m -104.09 -36.46 7.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.14 -30.82 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -95.33 106.14 18.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 50' ' ' GLU . 9.4 pt-20 -112.38 110.88 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.7 mt -83.1 132.33 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -41.24 -57.39 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.802 0.334 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER -128.99 2.46 5.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.1 mmt180 80.63 67.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.533 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -122.14 140.84 52.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.0 t -48.12 151.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -95.42 6.43 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.588 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.3 mmm180 -123.78 -47.82 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.71 -18.83 15.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.533 ' C ' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER 67.85 31.16 5.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 5.6 mm-40 -93.69 143.68 26.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -51.24 146.83 6.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.625 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -108.14 27.43 9.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -37.0 -91.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.411 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -83.54 38.66 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -98.33 -32.54 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 82.7 80.7 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.704 0.764 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 1.25 4.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -74.73 -30.55 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.01 2.72 4.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.508 ' O ' HD23 ' A' ' 28' ' ' LEU . 3.8 m-20 -95.86 49.45 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -132.33 110.83 10.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.47 137.81 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.97 17.71 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.03 -45.75 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.0 p -106.56 -20.82 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.7 m120 76.87 27.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 31.6 m170 -113.83 161.53 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 ' HG ' ' A' ' 12' ' ' LEU . 48.9 mt -74.99 146.29 41.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.35 117.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.477 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 27.2 p -50.23 177.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -82.94 18.93 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -126.48 -8.44 6.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.681 ' HB2' HG12 ' A' ' 29' ' ' VAL . 68.1 m -107.36 9.84 29.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 22.5 mtt180 -98.84 134.18 42.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.521 HD11 ' CE ' ' A' ' 45' ' ' LYS . 1.8 mp -104.19 106.09 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.52 114.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 26.9 mm-40 -88.81 -23.72 22.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 0.2 OUTLIER 78.41 -46.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 37' ' ' GLU . 13.3 p30 -39.5 -31.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 39' ' ' ASN . . . 147.95 -12.21 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 42' ' ' TRP . 7.0 t -131.39 -156.57 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.773 0.32 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.509 ' N ' HG23 ' A' ' 41' ' ' THR . 61.9 p-90 -152.7 159.66 43.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.44 140.07 31.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.14 166.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' CE ' HD11 ' A' ' 35' ' ' ILE . 3.2 mtpt -68.51 -10.83 58.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.588 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 10.4 t -91.81 -23.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.0 m -99.63 -42.22 6.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -71.85 -35.49 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -114.14 165.47 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 67.93 168.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 pt -102.88 172.37 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.07 159.56 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.2 m-20 -120.3 -7.57 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER 82.81 68.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.488 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -120.84 143.19 49.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 t -54.81 151.45 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -93.62 1.84 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.071 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 6.5 mmm180 -123.67 -40.87 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 m -101.02 -21.6 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.481 ' C ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER 65.64 27.29 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -96.76 150.4 20.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 145.39 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD13 HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -105.99 27.42 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.82 -94.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -83.14 58.1 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 30' ' ' CYS . 7.6 tp -136.38 3.01 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m 57.12 75.26 0.58 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.0 7.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -78.44 -29.18 46.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 p -119.22 23.61 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -117.65 20.37 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -98.65 96.07 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -38.29 131.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' NE ' ' OG1' ' A' ' 41' ' ' THR . 0.5 OUTLIER -85.3 21.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.81 -37.63 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.471 ' C ' ' CG ' ' A' ' 26' ' ' ASN . 4.0 p -116.73 -14.29 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.471 ' CG ' ' C ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER 74.53 20.87 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 29.9 m170 -106.19 157.24 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 27.0 mt -75.18 148.27 39.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.74 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.07 119.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' HD21 ' A' ' 15' ' ' LEU . 26.9 p -50.13 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HG3' HD11 ' A' ' 15' ' ' LEU . 7.2 mtm180 -85.52 18.04 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -126.46 -10.21 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.74 ' HB2' HG12 ' A' ' 29' ' ' VAL . 66.6 m -105.62 2.53 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 2.6 mtm180 -97.24 133.13 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.45 HD11 ' CE ' ' A' ' 45' ' ' LYS . 1.7 mp -106.23 124.76 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 1.7 mp0 -62.28 122.3 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -102.92 160.8 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -95.67 81.02 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -173.16 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.14 -0.65 3.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 42' ' ' TRP . 11.3 t -126.27 -157.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 111.161 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.461 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.7 p-90 -155.4 161.71 40.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.49 136.16 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.6 p -46.64 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CE ' HD11 ' A' ' 35' ' ' ILE . 3.5 mtpt -69.88 -9.17 53.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.427 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 5.5 t -94.75 -20.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.8 m -104.27 -37.78 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.28 -31.02 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.4 118.56 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -48.36 108.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 tt -52.83 141.98 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -43.5 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.8 m-20 -116.55 1.25 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 81.54 74.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.567 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -126.66 145.33 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.7 t -49.37 136.97 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.01 20.95 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.423 ' HG2' HG13 ' A' ' 29' ' ' VAL . 8.5 mmt180 -134.09 -48.67 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -104.63 -22.98 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.79 46.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -106.65 155.32 19.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.62 140.11 58.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -100.5 7.0 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.45 -90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.529 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -76.4 50.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.54 HD22 HD21 ' A' ' 20' ' ' ASN . 1.0 OUTLIER -141.03 12.12 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.2 80.58 0.28 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.748 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 66.29 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -139.32 -51.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.47 1.1 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.54 HD21 HD22 ' A' ' 15' ' ' LEU . 84.0 m-20 -97.24 30.21 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -108.01 112.94 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.48 129.41 28.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.662 ' NH1' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -79.75 -12.37 59.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.19 -12.16 43.25 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.2 m -124.24 -32.83 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 80.49 22.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -118.38 162.83 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' HG ' ' A' ' 12' ' ' LEU . 23.5 mt -76.46 147.68 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.36 117.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.47 ' HA ' HD13 ' A' ' 15' ' ' LEU . 22.5 p -50.97 176.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 26.2 ptt180 -83.93 22.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -126.44 -10.88 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' HB2' HG12 ' A' ' 29' ' ' VAL . 65.8 m -110.11 11.84 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -105.12 144.85 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.869 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.5 mp -113.87 95.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' CD ' ' H ' ' A' ' 36' ' ' GLN . 3.7 mp0 -40.97 113.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.1 -19.66 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.04 8.51 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -105.2 27.68 8.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.72 -13.55 59.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.662 HG21 ' NH1' ' A' ' 23' ' ' ARG . 10.7 t -152.04 -161.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.201 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -147.07 163.56 35.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.72 132.79 27.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 p -43.04 166.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.869 ' HA ' HD13 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -66.03 -19.31 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.402 HG23 ' HD2' ' A' ' 7' ' ' ARG . 4.1 t -82.47 -21.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.7 m -97.89 -52.38 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -70.22 -10.23 58.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.48 138.17 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.96 149.04 44.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.42 -30.28 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -168.36 47.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 52' ' ' GLU . 2.7 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.0 m-20 -114.32 -0.2 13.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.73 68.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.543 HG22 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -123.42 139.07 54.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.4 t -48.41 152.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -96.64 3.08 52.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.795 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.9 mmm180 -123.73 -40.13 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 m -100.96 -23.35 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.42 29.83 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.543 ' C ' HG22 ' A' ' 4' ' ' THR . 7.6 mt-10 -100.4 151.77 21.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 p -56.37 146.57 23.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.616 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -103.74 26.95 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.48 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 19.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 30' ' ' CYS . 3.1 mm? -75.69 -37.55 59.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.74 76.21 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.895 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 0.95 4.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -32.74 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.62 0.51 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -86.98 45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -125.7 105.18 8.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.5 128.13 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.48 4.24 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -49.99 1.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.4 p -105.08 -19.25 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 76.41 23.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 33.1 m170 -107.61 159.01 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.616 HD13 ' HG ' ' A' ' 12' ' ' LEU . 28.9 mt -74.25 141.79 45.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.521 HG12 ' CB ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -148.29 116.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HA ' HD12 ' A' ' 15' ' ' LEU . 26.6 p -46.81 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.9 mtm-85 -79.52 11.67 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -119.29 -8.46 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.521 ' CB ' HG12 ' A' ' 29' ' ' VAL . 55.6 m -107.67 6.2 27.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 14.9 mtm180 -94.83 139.08 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.9 mp -116.81 98.4 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' ILE . 3.8 mp0 -36.23 141.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -126.09 178.58 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.45 -11.62 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -83.06 37.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.41 24.98 32.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.562 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -150.33 -161.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -141.91 161.73 37.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -140.4 142.35 35.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.2 p -52.61 167.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.742 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.6 mtpt -70.51 -9.72 57.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.795 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 12.0 t -96.78 -18.85 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.8 m -102.15 -31.98 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.85 -21.37 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.94 125.01 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.7 79.54 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.54 -15.77 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.21 137.97 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.7 OUTLIER -109.36 0.91 19.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 81.46 64.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.487 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -113.74 145.39 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.19 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HB3' ' N ' ' A' ' 9' ' ' GLN . 9.0 t -43.62 151.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 14.09 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.543 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 23.2 mmm180 -138.33 -38.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.3 p -115.42 -5.38 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' HB3' ' A' ' 5' ' ' CYS . 2.3 mm-40 50.23 57.9 6.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 68.6 mt-10 -111.46 155.96 22.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.29 128.6 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 15' ' ' LEU . 1.2 mm? -94.18 10.01 35.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -36.63 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -78.38 47.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 12' ' ' LEU . 1.6 tp -129.68 -5.16 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 m 53.79 78.33 0.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.676 0.75 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.19 4.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -76.76 0.99 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.03 17.07 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 77.5 m-20 -115.4 26.86 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -104.16 101.8 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.9 t -38.58 140.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -94.36 2.15 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.86 -30.27 6.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.3 p -122.25 -25.71 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER 82.75 28.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -111.81 162.33 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.503 HD13 ' HG ' ' A' ' 12' ' ' LEU . 13.6 mt -77.89 142.46 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.483 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.38 112.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 26.3 p -48.99 179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 18.6 ptt180 -83.7 21.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -124.37 -23.07 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' HB2' HG12 ' A' ' 29' ' ' VAL . 67.0 m -97.15 11.81 35.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -105.27 154.14 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.726 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.7 mp -117.74 107.33 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -51.75 109.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.74 -24.86 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t 67.0 8.34 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.434 ' OD1' HG22 ' A' ' 41' ' ' THR . 0.6 OUTLIER -100.87 6.45 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.06 -14.66 19.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.591 HG23 ' N ' ' A' ' 42' ' ' TRP . 4.3 t -138.02 -158.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.591 ' N ' HG23 ' A' ' 41' ' ' THR . 66.7 p-90 -152.43 160.3 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.5 132.17 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.1 p -46.06 168.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.726 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.9 mtpt -70.91 -5.87 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 12.4 t -98.8 -19.31 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.1 m -104.6 -30.37 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 -19.52 28.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -133.09 60.92 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER 174.21 -50.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.496 ' C ' HD12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER 34.94 90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -79.74 -50.36 10.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.0 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.862 0.363 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.4 m-20 -117.65 -7.21 11.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 2.5 mmt180 82.62 72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.452 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.36 143.25 47.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.0 t -49.7 141.9 9.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.62 17.71 12.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.553 ' HD2' HG23 ' A' ' 46' ' ' VAL . 8.3 mmt180 -131.85 -37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.1 p -119.2 -13.42 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.17 55.78 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 4' ' ' THR . 17.8 mm-40 -113.99 161.36 17.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.24 128.04 35.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -83.96 23.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.26 138.56 43.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.77 54.23 10.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 12' ' ' LEU . 10.6 mt -130.78 -94.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.3 t 161.11 75.82 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.762 0.791 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 2.77 3.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -22.5 18.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 p -128.42 5.5 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -103.21 32.23 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -107.92 103.39 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 33.7 t -41.78 141.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -92.06 -14.35 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.72 -10.9 42.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 88.9 m -124.88 -32.17 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.4 OUTLIER 78.18 23.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -117.55 172.36 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' C ' HG22 ' A' ' 29' ' ' VAL . 17.4 mt -79.3 151.44 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -158.22 119.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.4 p -53.14 175.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.97 20.84 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -125.28 -12.86 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 m -106.15 8.73 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.605 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -99.52 138.82 36.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.605 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.7 mp -114.56 112.89 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.66 121.56 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.46 151.35 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.24 79.47 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.04 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.99 -6.69 3.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -121.65 -161.41 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 111.12 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CZ3' ' HA ' ' A' ' 22' ' ' CYS . 55.5 p-90 -150.09 164.09 36.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.52 129.29 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.3 p -39.78 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HA ' HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -55.48 -36.47 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 ' HD2' ' A' ' 7' ' ' ARG . 24.1 t -66.78 -22.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.5 m -92.94 -51.74 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -64.66 -20.07 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 139.67 53.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.16 88.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.548 HD12 ' N ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -104.89 114.99 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 51' ' ' ILE . 12.9 mp0 -90.3 106.5 18.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -119.72 -7.58 10.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.78 66.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.46 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.83 143.63 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.7 t -55.36 146.17 20.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -87.51 0.33 55.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 6.2 mmm180 -123.7 -35.24 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.98 -27.02 13.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 64.86 27.18 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' N ' HG22 ' A' ' 4' ' ' THR . 2.3 mm-40 -107.23 147.21 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.5 t -52.18 131.44 32.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.037 HD13 HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -77.76 -40.31 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 34.44 -129.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.73 91.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.037 HD23 HD13 ' A' ' 12' ' ' LEU . 15.5 tp -165.24 -93.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.5 p 160.27 78.81 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' CB ' ' HD2' ' A' ' 3' ' ' ARG . 53.8 Cg_endo -69.79 2.74 3.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -96.42 -34.76 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.7 p -107.8 19.06 20.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.41 HD21 HD11 ' A' ' 15' ' ' LEU . 73.7 m-20 -126.18 30.5 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' CYS . 41.5 m -102.6 94.37 5.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 49.2 t -34.52 127.54 0.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 6.76 7.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.07 -11.9 5.06 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.3 m -124.42 -31.62 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.807 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.4 t-20 80.17 16.99 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 70.9 m-70 -113.54 164.08 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 3' ' ' ARG . 67.9 mt -75.44 148.1 39.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.46 117.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 27.9 p -49.1 178.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.43 8.14 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.95 -9.59 13.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB2' HG12 ' A' ' 29' ' ' VAL . 56.8 m -106.59 3.56 27.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 1.7 mtm180 -101.73 143.03 32.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.694 HD13 ' HA ' ' A' ' 45' ' ' LYS . 2.1 mp -114.22 113.71 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.66 111.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.12 163.16 16.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.1 p -89.24 20.24 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -113.33 17.0 18.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.69 0.09 79.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 t -121.56 -162.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.402 ' CE2' ' NH1' ' A' ' 34' ' ' ARG . 39.0 p-90 -149.31 154.47 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -145.92 139.28 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 p -43.38 166.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.694 ' HA ' HD13 ' A' ' 35' ' ' ILE . 2.6 mtpt -69.21 -15.5 63.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.51 -21.0 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.05 -48.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -15.58 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 50' ' ' GLU . 2.6 ttpm? -49.19 -65.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' N ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -160.67 24.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp 64.87 99.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.3 37.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 23.0 m-20 -122.74 -4.0 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 82.57 71.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.521 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.77 144.61 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.5 t -53.55 142.54 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -86.51 8.91 20.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.461 ' NH1' HG21 ' A' ' 46' ' ' VAL . 11.2 mmt180 -129.57 -38.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.9 m -103.07 -24.61 13.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 65.68 23.58 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -101.63 134.51 44.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.15 148.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.783 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.574 ' CD1' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -94.56 32.39 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.892 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.83 123.9 4.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 43.29 82.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.62 HD23 ' OD1' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -151.41 -36.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.4 m 82.76 80.63 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.8 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 2.01 3.91 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -70.29 -20.99 62.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.2 p -139.72 26.16 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.62 ' OD1' HD23 ' A' ' 15' ' ' LEU . 21.5 m120 -124.58 27.15 7.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -108.35 111.08 22.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 19.8 t -38.54 141.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HD3' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -89.82 -9.42 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.75 -11.38 21.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.6 m -121.77 -32.03 3.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER 78.22 20.36 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 67.3 m-70 -114.06 163.99 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD13 ' HG ' ' A' ' 12' ' ' LEU . 28.7 mt -74.57 149.72 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.04 119.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' VAL . 26.4 p -48.82 178.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.1 mtt85 -86.87 18.8 3.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -127.36 -8.49 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.481 ' HB2' HG12 ' A' ' 29' ' ' VAL . 60.4 m -106.2 10.7 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.563 ' C ' HD12 ' A' ' 35' ' ' ILE . 5.9 mtm180 -104.45 142.87 33.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.563 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.7 mp -113.99 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -49.29 119.52 3.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -100.21 167.88 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -92.93 9.5 35.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.84 1.08 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.16 62.67 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.386 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.671 HG21 ' HD3' ' A' ' 23' ' ' ARG . 4.7 t -111.31 -157.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 111.122 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.62 ' N ' HG23 ' A' ' 41' ' ' THR . 52.0 p-90 -150.95 153.8 35.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -138.81 131.57 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 p -39.99 160.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.529 ' CE ' HD11 ' A' ' 35' ' ' ILE . 4.6 mtpt -61.41 -21.67 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.461 HG21 ' NH1' ' A' ' 7' ' ' ARG . 1.5 t -78.74 -24.17 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m -98.07 -54.38 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' LYS . . . -63.71 -15.25 57.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ALA . 6.9 tptt -34.28 -64.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -150.49 177.28 10.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 51' ' ' ILE . 0.7 OUTLIER -70.14 120.32 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.84 95.52 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER -119.86 -8.9 9.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.8 66.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.468 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -116.51 141.26 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.4 t -43.17 151.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -101.03 5.03 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.699 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 7.0 mmm180 -123.28 -37.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.73 -12.36 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 58.38 57.46 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 21.1 mt-10 -118.62 153.99 33.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 t -59.24 137.68 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -101.9 25.03 9.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.79 -96.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -76.67 49.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 16' ' ' SER . 6.8 mt -126.18 -28.39 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.8 t 81.42 80.59 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 -1.56 8.75 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -80.72 -30.43 36.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -121.2 13.08 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 71.9 m-20 -109.32 20.85 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -98.9 114.61 27.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 41.6 t -49.11 132.6 19.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -84.88 8.86 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.828 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.62 -43.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.9 p -109.3 -21.23 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.8 11.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . 19.6 m-70 -94.29 157.0 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.2 138.89 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -148.01 111.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.1 p -49.17 179.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.475 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 10.7 ptt-85 -83.79 22.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -127.62 -8.35 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.461 ' HB2' HG12 ' A' ' 29' ' ' VAL . 94.9 m -114.99 19.11 16.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.889 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -110.01 147.37 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.889 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.3 mp -122.83 117.69 52.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.07 125.82 13.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -112.65 117.74 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -49.69 -27.17 4.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -44.67 -49.72 10.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.71 -33.89 0.32 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 42' ' ' TRP . 12.2 t -117.61 -152.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.121 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' N ' HG23 ' A' ' 41' ' ' THR . 34.6 p-90 -129.89 152.67 49.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.59 139.6 33.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' CYS . 15.6 p -54.09 147.26 13.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' N ' HD13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -38.88 -42.63 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.699 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 15.9 t -58.56 -40.79 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' CYS . 5.0 m -78.21 -53.58 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -30.91 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.031 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.99 -36.94 56.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 68.92 142.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.66 -162.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.188 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -124.47 -78.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.843 0.354 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 -127.48 -8.22 5.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.81 63.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.536 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -116.13 149.23 39.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -88.3 15.86 7.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -134.17 -46.41 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.55 -19.71 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.536 ' C ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER 67.8 26.2 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -93.45 141.98 27.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -54.96 139.41 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -94.33 10.04 35.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -35.0 -82.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -76.81 52.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 12' ' ' LEU . 3.9 tp -146.22 15.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LEU . 57.8 m 35.5 75.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.81 65.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.735 2.29 . . . . 0.0 112.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -127.45 -8.29 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.78 13.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 82.2 m-20 -101.54 29.09 5.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -106.99 99.02 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.6 t -38.67 129.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -3.27 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.92 -47.46 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.8 p -106.14 -20.5 13.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER 79.61 20.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 32.3 m170 -106.46 160.05 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.643 HD13 ' HG ' ' A' ' 12' ' ' LEU . 16.9 mt -75.3 148.83 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.685 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.97 118.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.561 ' HA ' HD21 ' A' ' 15' ' ' LEU . 27.9 p -49.0 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.6 ptp180 -81.71 14.4 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -121.11 -10.95 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.685 ' HB2' HG12 ' A' ' 29' ' ' VAL . 57.5 m -105.37 12.28 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.3 mtm180 -98.9 137.43 37.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.674 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.5 mp -108.47 99.14 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -37.95 100.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -82.79 161.89 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.59 12.99 23.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -104.43 28.81 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.96 14.13 65.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 42' ' ' TRP . 5.7 t -142.19 -156.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.573 ' N ' HG23 ' A' ' 41' ' ' THR . 49.2 p-90 -145.54 153.89 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HB2' ' HB2' ' A' ' 48' ' ' ALA . 3.4 mmt85 -139.52 132.34 29.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -43.34 165.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.674 ' HE2' HD11 ' A' ' 35' ' ' ILE . 2.1 mtpt -72.59 -6.49 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.548 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 5.7 t -94.4 -21.31 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.0 m -101.09 -51.79 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 43' ' ' ARG . . . -67.23 -32.32 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.74 150.47 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -125.82 29.57 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' LEU . 6.1 mm 45.51 77.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 43.88 -92.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.789 0.328 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.81 66.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.491 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -118.8 140.98 49.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 t -41.62 153.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.63 5.26 39.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 9.3 mmm180 -123.33 -35.33 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.82 -10.28 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.71 58.46 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' C ' HG22 ' A' ' 4' ' ' THR . 24.0 mt-10 -117.01 153.75 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 135.5 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.505 HD13 ' HG ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -93.74 -44.22 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 36.73 -111.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -76.6 52.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -107.69 -36.91 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER 82.69 80.73 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 0.96 4.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.76 -32.67 73.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.81 0.89 2.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 5.3 m-20 -90.97 42.23 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' CYS . 97.6 m -126.51 107.88 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 35.5 t -36.72 126.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -77.32 -1.55 30.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.82 13.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 85.4 m -125.35 -32.63 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 81.54 14.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -108.06 169.65 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD13 ' HG ' ' A' ' 12' ' ' LEU . 36.1 mt -81.91 149.55 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.91 112.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 26.2 p -48.82 177.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.59 21.12 1.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -125.11 -13.58 6.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.455 ' HB2' HG12 ' A' ' 29' ' ' VAL . 67.4 m -106.85 8.64 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.553 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -103.67 140.77 37.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.688 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.7 mp -113.48 111.19 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.95 103.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -77.14 138.6 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -51.74 -20.75 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.652 HD21 HG22 ' A' ' 41' ' ' THR . 40.1 p30 -78.69 -158.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.02 45.42 1.58 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.708 HG23 ' N ' ' A' ' 42' ' ' TRP . 1.6 t -167.92 -158.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.19 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.708 ' N ' HG23 ' A' ' 41' ' ' THR . 37.3 p-90 -146.43 152.93 39.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -136.29 134.43 37.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 p -42.99 166.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.688 ' HE2' HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -66.12 -19.19 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 15.9 t -83.99 -20.2 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.62 -50.01 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . . . -65.58 -17.18 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.757 0.313 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.57 73.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.489 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -120.63 146.77 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.9 t -53.64 147.42 11.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -91.69 8.77 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 2.6 mmm-85 -127.33 -44.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 m -101.05 -22.88 14.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.489 ' C ' HG22 ' A' ' 4' ' ' THR . 0.4 OUTLIER 66.73 30.37 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.67 140.95 36.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t -46.1 142.01 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.646 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -88.54 26.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' LEU . . . -56.66 150.62 26.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.9 27.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -117.04 -10.41 10.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.448 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 59.35 74.27 0.6 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.09 6.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.6 -41.23 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 t -136.74 64.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 16' ' ' SER . 76.3 m-20 -135.33 12.29 3.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -89.5 106.87 18.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 t -42.69 133.2 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -83.7 -0.97 53.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.25 -42.71 3.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 3.4 p -111.93 -18.9 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 78.49 26.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.613 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 51.0 m-70 -114.3 158.8 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.646 HD13 ' HG ' ' A' ' 12' ' ' LEU . 12.7 mt -74.45 150.09 40.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.794 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.65 119.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -51.23 -177.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 5.3 ptt180 -85.86 15.79 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -122.63 -15.04 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.794 ' HB2' HG12 ' A' ' 29' ' ' VAL . 91.4 m -102.34 10.41 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.2 mtt180 -98.95 137.51 37.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.6 mp -109.56 107.05 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.547 ' NE2' ' N ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -49.81 109.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.6 -0.76 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 44.07 74.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -174.12 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.62 -15.67 0.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 42' ' ' TRP . 6.4 t -125.82 -160.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.454 ' N ' HG23 ' A' ' 41' ' ' THR . 62.3 p-90 -159.77 159.99 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.13 133.17 21.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.8 p -45.88 171.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.704 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.5 mtpt -74.12 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 6.5 t -92.48 -20.94 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.0 m -100.0 -43.83 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -67.75 -24.84 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 61.9 m-20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER 82.68 67.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -114.86 144.97 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.164 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.8 t -56.63 144.23 32.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -87.44 1.18 54.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.401 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 7.5 mmm180 -123.31 -35.05 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.91 -25.8 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.27 36.35 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -114.51 154.48 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -52.74 139.68 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -90.22 -35.57 15.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.51 -125.19 5.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 76.0 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -127.21 -29.83 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.21 80.87 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.678 0.751 . . . . 0.0 110.811 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -7.58 21.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.99 -6.73 23.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.99 14.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' CG ' ' NH2' ' A' ' 34' ' ' ARG . 3.6 m-20 -114.82 26.87 9.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.1 m -109.0 103.87 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -41.77 130.84 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.42 -12.76 59.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.49 -11.67 40.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 96.8 m -127.48 -33.05 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 81.34 20.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 52.2 m-70 -113.21 162.49 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 3' ' ' ARG . 45.4 mt -74.86 151.06 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.33 117.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -48.89 176.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.64 19.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -126.43 -8.64 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' HB2' HG12 ' A' ' 29' ' ' VAL . 81.4 m -109.36 10.88 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' CG ' ' A' ' 20' ' ' ASN . 4.4 mtt180 -105.49 137.97 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.9 mp -109.26 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -50.98 122.59 7.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.63 122.72 46.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -42.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -38.93 -40.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.54 4.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t -116.05 -160.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.192 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.3 p-90 -149.26 154.91 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' CYS . 1.3 mmm-85 -144.71 132.65 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' ARG . 10.0 p -38.29 157.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.609 ' HA ' HD13 ' A' ' 35' ' ' ILE . 4.2 mtpt -58.19 -23.16 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 2.8 t -80.09 -20.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.3 m -98.9 -50.74 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -26.02 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.76 0.314 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 80.3 67.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.95 147.77 35.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.7 t -56.73 145.89 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -89.47 2.75 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 7.1 mmm180 -122.81 -39.75 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.8 m -101.82 -24.7 14.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.47 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 66.02 29.64 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.98 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.63 153.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 t -56.4 140.1 46.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.55 -37.97 17.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.94 -121.72 17.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.87 60.92 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -114.2 -26.26 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.9 t 80.7 80.66 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.88 19.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.246 . . . . 0.0 112.412 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -22.71 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -131.1 17.98 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.482 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 15.1 m-20 -114.96 7.0 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.7 m -87.47 98.36 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -38.52 127.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.32 7.94 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.98 -48.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.7 p -107.15 -20.12 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 3.1 m-80 77.85 34.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 49.7 m-70 -122.14 162.0 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 ' HG ' ' A' ' 12' ' ' LEU . 40.1 mt -75.9 144.83 40.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.597 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -150.62 117.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.3 p -48.03 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 19.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.98 -13.43 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.597 ' HB2' HG12 ' A' ' 29' ' ' VAL . 92.1 m -104.23 9.76 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.482 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 2.9 mtt180 -100.97 137.38 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.8 mp -105.54 104.81 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 114.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.15 171.23 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.34 5.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -96.82 17.47 16.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.28 12.27 84.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 t -135.32 -160.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 111.063 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -146.07 157.19 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.29 129.43 18.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.7 p -41.73 163.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.8 mtpt -69.37 -6.54 30.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.19 -18.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.5 m -106.26 -32.26 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.08 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 1.6 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.82 64.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.539 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -114.01 146.19 40.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.6 t -57.8 148.46 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -89.15 6.23 40.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.521 ' HD3' HG23 ' A' ' 46' ' ' VAL . 3.6 mmm-85 -128.27 -39.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 m -101.77 -21.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.539 ' C ' HG22 ' A' ' 4' ' ' THR . 2.3 mt-30 59.78 33.51 21.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 4' ' ' THR . 4.9 mt-10 -110.78 144.55 39.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -40.94 143.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.626 HD13 ' HG ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -95.94 -31.08 13.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 35.1 -119.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -73.21 67.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.799 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.626 ' HG ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -120.28 -36.36 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.2 t 82.71 80.81 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -0.93 7.64 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.226 . . . . 0.0 112.407 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -59.53 -36.82 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.43 0.83 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.546 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 7.2 m-20 -86.85 30.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -116.6 102.47 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -37.55 127.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 10.8 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.78 -48.54 1.02 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.8 p -105.81 -20.69 13.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER 79.79 32.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 50.5 m-70 -121.34 160.45 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HG ' ' A' ' 12' ' ' LEU . 97.0 mt -75.73 151.13 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.94 118.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -47.72 174.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.3 16.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.01 -11.51 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.486 ' HB2' HG12 ' A' ' 29' ' ' VAL . 65.7 m -106.01 13.38 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.546 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 1.1 mtt180 -104.57 138.64 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.488 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.8 mp -107.62 118.09 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.501 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -57.53 109.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.96 151.66 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.62 16.83 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -101.21 -3.74 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 15.59 25.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 42' ' ' TRP . 5.1 t -149.21 -158.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.131 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.57 ' N ' HG23 ' A' ' 41' ' ' THR . 45.1 p-90 -144.82 153.92 42.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.02 140.77 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -48.85 163.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HE2' HD11 ' A' ' 35' ' ' ILE . 3.9 mtpt -67.42 -8.5 33.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG23 ' HD3' ' A' ' 7' ' ' ARG . 15.4 t -96.0 -18.26 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.18 -31.67 8.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.68 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.061 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 14.4 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER 77.27 64.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -116.24 148.59 40.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.0 t -60.2 146.01 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -90.67 0.88 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.611 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.3 mmm180 -121.41 -35.47 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.0 m -105.33 -22.82 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 62.81 31.66 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' HG22 ' A' ' 4' ' ' THR . 3.3 mm-40 -106.18 161.28 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 p -62.03 139.91 58.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.629 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -89.13 31.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.63 123.31 2.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 35.05 67.33 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.629 HD13 HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -124.21 -26.88 3.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.6 t 82.69 78.48 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.636 0.731 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 3' ' ' ARG . 53.4 Cg_endo -69.77 -1.22 8.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -75.64 -17.41 60.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.52 20.28 2.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 15' ' ' LEU . 16.1 m-20 -114.03 18.62 17.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -100.9 96.19 7.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -39.12 125.03 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 2.72 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.52 -11.61 10.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 93.5 m -125.99 -29.71 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.4 m120 81.46 13.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 57.4 m-70 -113.18 165.27 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 66.2 mt -76.59 154.35 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.12 118.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.7 p -49.05 172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 30.7 ptt180 -79.66 9.91 4.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.3 -14.55 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.588 ' HB2' HG12 ' A' ' 29' ' ' VAL . 90.9 m -103.83 3.14 33.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 4.3 mtm180 -94.57 133.57 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.4 mp -111.63 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -48.66 118.06 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -94.63 164.94 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 m -94.6 20.51 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.48 1.99 18.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.4 62.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.446 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -118.65 -159.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.725 0.297 . . . . 0.0 111.114 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -145.93 155.52 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -143.41 137.45 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.5 p -42.04 163.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.878 ' HA ' HD13 ' A' ' 35' ' ' ILE . 2.2 mtpt -64.27 -15.27 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 16.2 t -90.81 -18.04 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 4.2 m -98.46 -44.84 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.667 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -65.21 -23.6 67.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 77.88 64.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.535 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.84 149.64 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -58.46 143.13 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.686 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -87.09 9.03 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.686 ' HE ' ' HB3' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -131.75 -33.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.24 -25.8 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.535 ' C ' HG22 ' A' ' 4' ' ' THR . 0.8 OUTLIER 65.84 28.63 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.51 ' N ' HG22 ' A' ' 4' ' ' THR . 4.1 mt-10 -108.11 143.55 36.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -50.03 136.54 18.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -80.41 -35.65 34.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 -109.98 2.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.76 58.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -105.74 -21.74 13.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t 82.29 79.9 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.731 0.777 . . . . 0.0 110.812 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -3.7 12.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -30.42 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.06 7.53 8.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 65.7 m-20 -108.07 30.61 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' CYS . 18.8 m -109.22 98.35 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' THR . 43.5 t -36.2 125.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -3.2 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.22 -11.67 21.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 99.6 m -127.08 -33.03 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.897 0.379 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 81.12 22.74 0.33 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 64.8 m-70 -119.56 164.34 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD13 ' HG ' ' A' ' 12' ' ' LEU . 17.2 mt -75.28 144.09 42.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -148.51 114.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 30.8 p -47.17 173.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 39.8 ptt85 -79.6 6.97 9.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -110.78 -11.59 14.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.553 ' HB2' HG12 ' A' ' 29' ' ' VAL . 57.0 m -106.08 6.39 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.485 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -99.23 143.03 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 45' ' ' LYS . 2.0 mp -121.11 104.15 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.26 115.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.1 145.91 24.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -77.87 84.66 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.707 ' OD1' HG22 ' A' ' 41' ' ' THR . 17.9 p30 -178.53 -32.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.94 -2.99 5.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.707 HG22 ' OD1' ' A' ' 39' ' ' ASN . 11.0 t -118.16 -155.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.164 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.478 ' N ' HG23 ' A' ' 41' ' ' THR . 57.7 p-90 -158.39 154.88 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.94 139.21 32.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 p -48.21 160.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.753 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.6 mtpt -60.18 -20.24 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.96 -20.89 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 m -96.19 -47.5 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.8 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 82.77 61.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.566 HG22 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -111.71 139.98 46.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.0 t -46.22 146.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -94.19 10.49 33.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HD2' HG23 ' A' ' 46' ' ' VAL . 3.5 mmt85 -130.39 -34.68 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 m -106.96 -28.43 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.87 31.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.566 ' C ' HG22 ' A' ' 4' ' ' THR . 6.5 mm-40 -105.16 160.19 15.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -66.35 138.8 57.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.043 HD13 HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -89.72 20.88 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.51 143.75 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER 34.51 54.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.92 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.043 HD23 HD13 ' A' ' 12' ' ' LEU . 10.3 tp -134.74 -35.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER 82.36 80.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.684 0.755 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -76.19 -44.42 37.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.86 26.28 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -120.31 16.03 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -92.93 105.57 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -44.84 130.0 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.11 13.97 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.29 -45.07 0.95 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 1.7 p -107.7 -25.01 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.77 28.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 27.1 m-70 -117.95 161.43 19.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 34.5 mt -74.34 146.39 43.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.642 HG12 ' CB ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.69 118.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.2 p -48.62 178.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.6 17.63 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -125.56 -12.38 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.642 ' CB ' HG12 ' A' ' 29' ' ' VAL . 37.1 m -99.41 -0.14 41.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -93.2 138.77 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.706 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.5 mp -107.76 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -43.61 104.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.39 179.38 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.1 m -110.17 8.55 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -96.32 3.87 52.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.48 -6.46 63.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -121.71 -158.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.413 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 66.6 p-90 -142.43 152.01 42.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -138.65 133.33 32.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.441 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 20.5 p -46.53 168.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.5 mtpt -71.92 -6.64 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 7' ' ' ARG . 14.5 t -98.49 -18.53 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.9 m -101.6 -35.63 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.69 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 76.2 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.38 70.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.544 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -121.95 144.81 48.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.2 t -46.58 152.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.407 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -101.67 6.9 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.581 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.1 mmm180 -123.79 -37.59 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.26 -13.13 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 59.51 58.0 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' C ' HG22 ' A' ' 4' ' ' THR . 1.9 mm-40 -116.37 155.47 28.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -60.06 133.66 56.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -93.31 15.25 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -46.14 136.24 8.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.565 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 34.87 47.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -125.76 -11.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.3 t 80.11 76.34 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.04 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -86.94 -56.3 3.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -80.51 -4.16 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' ND2' HD23 ' A' ' 15' ' ' LEU . 80.1 m-20 -96.07 42.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 m -118.95 105.64 11.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 42.5 t -44.33 129.04 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.01 12.66 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.21 -11.69 2.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 94.8 m -126.24 -32.62 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.815 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 m120 82.26 16.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -106.98 171.22 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 28' ' ' LEU . 19.5 mt -83.58 144.85 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.501 HG13 ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -153.75 113.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 24.8 p -48.18 177.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 14.1 ptt85 -83.75 21.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.784 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -125.51 -11.96 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.443 ' HB2' HG12 ' A' ' 29' ' ' VAL . 66.1 m -109.23 15.97 22.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -107.2 142.38 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.771 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.7 mp -117.0 99.02 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.61 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.72 112.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.66 154.64 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -77.83 -7.92 57.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -75.76 0.89 16.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.15 -20.71 39.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 42' ' ' TRP . 6.6 t -116.85 -157.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.325 . . . . 0.0 111.184 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.506 ' N ' HG23 ' A' ' 41' ' ' THR . 20.8 p-90 -135.39 154.66 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -135.19 136.5 41.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.9 p -43.96 160.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.771 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.1 mtpt -63.5 -8.16 8.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.581 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 3.7 t -95.09 -22.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 m -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -63.26 -20.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 pttp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 12.4 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 78.12 67.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -119.31 144.08 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -49.83 147.27 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -96.96 17.14 17.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HD3' HG23 ' A' ' 46' ' ' VAL . 7.3 mmm-85 -133.36 -40.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.7 p -115.96 -13.94 11.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.42 ' C ' HG22 ' A' ' 4' ' ' THR . 0.4 OUTLIER 61.89 57.07 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' N ' HG22 ' A' ' 4' ' ' THR . 17.9 mm-40 -116.31 152.23 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 132.87 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -92.48 21.92 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.23 148.1 33.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 40.21 38.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -124.05 -17.97 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.88 80.5 0.19 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 0.08 6.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.92 -27.52 54.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -128.29 26.91 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -115.22 13.77 16.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -96.66 106.82 19.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.5 t -43.22 132.08 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 16.88 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.37 -47.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.495 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 2.0 p -106.94 -20.32 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.1 t-20 80.32 26.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 60.8 m-70 -112.74 161.91 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.433 HD13 ' HG ' ' A' ' 12' ' ' LEU . 27.2 mt -77.04 148.7 36.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.04 112.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.0 p -49.34 179.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.3 19.96 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -127.15 -9.0 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.525 ' HB2' HG12 ' A' ' 29' ' ' VAL . 64.1 m -112.64 17.32 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.612 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -113.05 155.75 24.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.642 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.9 mp -120.66 118.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 92.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.75 150.65 42.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 t -92.95 38.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -127.34 17.06 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 20.13 60.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 42' ' ' TRP . 7.2 t -156.7 -161.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.14 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.9 p-90 -141.01 159.52 42.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.473 ' NE ' ' HB3' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -145.59 129.75 17.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.6 p -42.56 161.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HE2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -66.17 -5.71 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' HD3' ' A' ' 7' ' ' ARG . 12.0 t -99.17 -18.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' NE ' ' A' ' 43' ' ' ARG . 57.7 m -104.09 -36.46 7.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.14 -30.82 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.1 mmt180 80.63 67.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.533 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -122.14 140.84 52.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.0 t -48.12 151.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -95.42 6.43 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.588 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.3 mmm180 -123.78 -47.82 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.71 -18.83 15.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.533 ' C ' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER 67.85 31.16 5.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 5.6 mm-40 -93.69 143.68 26.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -51.24 146.83 6.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.625 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -108.14 27.43 9.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -37.0 -91.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.411 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -83.54 38.66 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -98.33 -32.54 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 82.7 80.7 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.704 0.764 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 1.25 4.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -74.73 -30.55 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.01 2.72 4.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.508 ' O ' HD23 ' A' ' 28' ' ' LEU . 3.8 m-20 -95.86 49.45 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -132.33 110.83 10.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.47 137.81 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.97 17.71 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.03 -45.75 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 2.0 p -106.56 -20.82 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.7 m120 76.87 27.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 45.5 m-70 -113.83 161.53 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 ' HG ' ' A' ' 12' ' ' LEU . 48.9 mt -74.99 146.29 41.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.35 117.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.477 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 27.2 p -50.23 177.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -82.94 18.93 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -126.48 -8.44 6.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.681 ' HB2' HG12 ' A' ' 29' ' ' VAL . 68.1 m -107.36 9.84 29.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 22.5 mtt180 -98.84 134.18 42.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.521 HD11 ' CE ' ' A' ' 45' ' ' LYS . 1.8 mp -104.19 106.09 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.52 114.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 26.9 mm-40 -88.81 -23.72 22.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 0.2 OUTLIER 78.41 -46.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 37' ' ' GLU . 13.3 p30 -39.5 -31.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 39' ' ' ASN . . . 147.95 -12.21 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 42' ' ' TRP . 7.0 t -131.39 -156.57 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.773 0.32 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.509 ' N ' HG23 ' A' ' 41' ' ' THR . 61.9 p-90 -152.7 159.66 43.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.44 140.07 31.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.14 166.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' CE ' HD11 ' A' ' 35' ' ' ILE . 3.2 mtpt -68.51 -10.83 58.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.588 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 10.4 t -91.81 -23.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.0 m -99.63 -42.22 6.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -71.85 -35.49 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.2 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.332 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER 82.81 68.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.488 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -120.84 143.19 49.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 t -54.81 151.45 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -93.62 1.84 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.071 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 6.5 mmm180 -123.67 -40.87 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 m -101.02 -21.6 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.481 ' C ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER 65.64 27.29 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -96.76 150.4 20.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 145.39 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD13 HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -105.99 27.42 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.82 -94.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -83.14 58.1 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 30' ' ' CYS . 7.6 tp -136.38 3.01 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m 57.12 75.26 0.58 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.0 7.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -78.44 -29.18 46.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 p -119.22 23.61 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -117.65 20.37 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -98.65 96.07 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -38.29 131.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' NE ' ' OG1' ' A' ' 41' ' ' THR . 0.5 OUTLIER -85.3 21.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.81 -37.63 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 4.0 p -116.73 -14.29 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.471 ' CG ' ' C ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER 74.53 20.87 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 43.5 m-70 -106.19 157.24 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 27.0 mt -75.18 148.27 39.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.74 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.07 119.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' HD21 ' A' ' 15' ' ' LEU . 26.9 p -50.13 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HG3' HD11 ' A' ' 15' ' ' LEU . 7.2 mtm180 -85.52 18.04 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -126.46 -10.21 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.74 ' HB2' HG12 ' A' ' 29' ' ' VAL . 66.6 m -105.62 2.53 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 2.6 mtm180 -97.24 133.13 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.45 HD11 ' CE ' ' A' ' 45' ' ' LYS . 1.7 mp -106.23 124.76 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -62.28 122.3 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -102.92 160.8 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -95.67 81.02 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -173.16 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.14 -0.65 3.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 42' ' ' TRP . 11.3 t -126.27 -157.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 111.161 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.461 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.7 p-90 -155.4 161.71 40.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.49 136.16 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.6 p -46.64 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CE ' HD11 ' A' ' 35' ' ' ILE . 3.5 mtpt -69.88 -9.17 53.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.427 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 5.5 t -94.75 -20.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.8 m -104.27 -37.78 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.28 -31.02 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.8 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 81.54 74.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.567 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -126.66 145.33 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.7 t -49.37 136.97 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.01 20.95 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.423 ' HG2' HG13 ' A' ' 29' ' ' VAL . 8.5 mmt180 -134.09 -48.67 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -104.63 -22.98 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.79 46.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -106.65 155.32 19.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.62 140.11 58.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -100.5 7.0 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.45 -90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.529 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -76.4 50.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.54 HD22 HD21 ' A' ' 20' ' ' ASN . 1.0 OUTLIER -141.03 12.12 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.2 80.58 0.28 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.748 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 66.29 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -139.32 -51.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.47 1.1 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.54 HD21 HD22 ' A' ' 15' ' ' LEU . 84.0 m-20 -97.24 30.21 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -108.01 112.94 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.48 129.41 28.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.662 ' NH1' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -79.75 -12.37 59.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.19 -12.16 43.25 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.2 m -124.24 -32.83 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 80.49 22.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -118.38 162.83 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' HG ' ' A' ' 12' ' ' LEU . 23.5 mt -76.46 147.68 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.36 117.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.47 ' HA ' HD13 ' A' ' 15' ' ' LEU . 22.5 p -50.97 176.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 26.2 ptt180 -83.93 22.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -126.44 -10.88 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' HB2' HG12 ' A' ' 29' ' ' VAL . 65.8 m -110.11 11.84 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -105.12 144.85 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.869 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.5 mp -113.87 95.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.587 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.97 113.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.1 -19.66 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.04 8.51 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -105.2 27.68 8.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.72 -13.55 59.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.662 HG21 ' NH1' ' A' ' 23' ' ' ARG . 10.7 t -152.04 -161.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.201 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -147.07 163.56 35.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.72 132.79 27.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 p -43.04 166.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.869 ' HA ' HD13 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -66.03 -19.31 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.402 HG23 ' HD2' ' A' ' 7' ' ' ARG . 4.1 t -82.47 -21.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.7 m -97.89 -52.38 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -70.22 -10.23 58.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.0 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.73 68.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.543 HG22 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -123.42 139.07 54.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.4 t -48.41 152.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -96.64 3.08 52.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.795 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.9 mmm180 -123.73 -40.13 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 m -100.96 -23.35 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.42 29.83 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.543 ' C ' HG22 ' A' ' 4' ' ' THR . 7.6 mt-10 -100.4 151.77 21.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 p -56.37 146.57 23.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.616 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -103.74 26.95 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.48 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 19.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 30' ' ' CYS . 3.1 mm? -75.69 -37.55 59.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.74 76.21 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.895 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 0.95 4.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -32.74 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.62 0.51 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -86.98 45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -125.7 105.18 8.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.5 128.13 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.48 4.24 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -49.99 1.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.4 p -105.08 -19.25 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 76.41 23.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 43.3 m-70 -107.61 159.01 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.616 HD13 ' HG ' ' A' ' 12' ' ' LEU . 28.9 mt -74.25 141.79 45.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.521 HG12 ' CB ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -148.29 116.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HA ' HD12 ' A' ' 15' ' ' LEU . 26.6 p -46.81 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.9 mtm-85 -79.52 11.67 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -119.29 -8.46 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.521 ' CB ' HG12 ' A' ' 29' ' ' VAL . 55.6 m -107.67 6.2 27.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 14.9 mtm180 -94.83 139.08 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.9 mp -116.81 98.4 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.576 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -36.23 141.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -126.09 178.58 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.45 -11.62 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -83.06 37.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.41 24.98 32.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.562 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -150.33 -161.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -141.91 161.73 37.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -140.4 142.35 35.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.2 p -52.61 167.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.742 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.6 mtpt -70.51 -9.72 57.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.795 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 12.0 t -96.78 -18.85 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.8 m -102.15 -31.98 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.85 -21.37 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.775 0.321 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 81.46 64.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.487 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -113.74 145.39 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.19 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HB3' ' N ' ' A' ' 9' ' ' GLN . 9.0 t -43.62 151.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 14.09 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.543 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 23.2 mmm180 -138.33 -38.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.3 p -115.42 -5.38 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' HB3' ' A' ' 5' ' ' CYS . 2.3 mm-40 50.23 57.9 6.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 68.6 mt-10 -111.46 155.96 22.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.29 128.6 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 15' ' ' LEU . 1.2 mm? -94.18 10.01 35.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -36.63 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -78.38 47.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 12' ' ' LEU . 1.6 tp -129.68 -5.16 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 m 53.79 78.33 0.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.676 0.75 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.19 4.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -76.76 0.99 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.03 17.07 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 77.5 m-20 -115.4 26.86 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -104.16 101.8 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.9 t -38.58 140.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -94.36 2.15 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.86 -30.27 6.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.3 p -122.25 -25.71 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER 82.75 28.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 54.6 m-70 -111.81 162.33 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.503 HD13 ' HG ' ' A' ' 12' ' ' LEU . 13.6 mt -77.89 142.46 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.483 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.38 112.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 26.3 p -48.99 179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 18.6 ptt180 -83.7 21.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -124.37 -23.07 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.483 ' HB2' HG12 ' A' ' 29' ' ' VAL . 67.0 m -97.15 11.81 35.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -105.27 154.14 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.726 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.7 mp -117.74 107.33 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -51.75 109.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.74 -24.86 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t 67.0 8.34 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.434 ' OD1' HG22 ' A' ' 41' ' ' THR . 0.6 OUTLIER -100.87 6.45 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.06 -14.66 19.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.591 HG23 ' N ' ' A' ' 42' ' ' TRP . 4.3 t -138.02 -158.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.591 ' N ' HG23 ' A' ' 41' ' ' THR . 66.7 p-90 -152.43 160.3 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.5 132.17 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.1 p -46.06 168.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.726 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.9 mtpt -70.91 -5.87 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.543 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 12.4 t -98.8 -19.31 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.1 m -104.6 -30.37 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 -19.52 28.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.4 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 2.5 mmt180 82.62 72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.452 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.36 143.25 47.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.0 t -49.7 141.9 9.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.62 17.71 12.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.553 ' HD2' HG23 ' A' ' 46' ' ' VAL . 8.3 mmt180 -131.85 -37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.1 p -119.2 -13.42 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.17 55.78 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 4' ' ' THR . 17.8 mm-40 -113.99 161.36 17.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.24 128.04 35.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -83.96 23.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.26 138.56 43.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.77 54.23 10.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 12' ' ' LEU . 10.6 mt -130.78 -94.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.3 t 161.11 75.82 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.762 0.791 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 2.77 3.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -22.5 18.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 p -128.42 5.5 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -103.21 32.23 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -107.92 103.39 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 33.7 t -41.78 141.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -92.06 -14.35 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.72 -10.9 42.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 88.9 m -124.88 -32.17 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.488 ' ND2' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER 78.18 23.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -117.55 172.36 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' C ' HG22 ' A' ' 29' ' ' VAL . 17.4 mt -79.3 151.44 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -158.22 119.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.4 p -53.14 175.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.97 20.84 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -125.28 -12.86 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 m -106.15 8.73 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.605 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -99.52 138.82 36.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.605 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.7 mp -114.56 112.89 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.66 121.56 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.46 151.35 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.24 79.47 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.04 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.99 -6.69 3.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -121.65 -161.41 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 111.12 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CZ3' ' HA ' ' A' ' 22' ' ' CYS . 55.5 p-90 -150.09 164.09 36.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.52 129.29 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.3 p -39.78 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HA ' HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -55.48 -36.47 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 ' HD2' ' A' ' 7' ' ' ARG . 24.1 t -66.78 -22.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.5 m -92.94 -51.74 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -64.66 -20.07 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.78 66.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.46 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.83 143.63 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.7 t -55.36 146.17 20.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -87.51 0.33 55.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 6.2 mmm180 -123.7 -35.24 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.98 -27.02 13.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.46 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 64.86 27.18 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' N ' HG22 ' A' ' 4' ' ' THR . 2.3 mm-40 -107.23 147.21 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.5 t -52.18 131.44 32.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.037 HD13 HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -77.76 -40.31 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 34.44 -129.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.73 91.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.037 HD23 HD13 ' A' ' 12' ' ' LEU . 15.5 tp -165.24 -93.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.5 p 160.27 78.81 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' CB ' ' HD2' ' A' ' 3' ' ' ARG . 53.8 Cg_endo -69.79 2.74 3.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -96.42 -34.76 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.7 p -107.8 19.06 20.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.41 HD21 HD11 ' A' ' 15' ' ' LEU . 73.7 m-20 -126.18 30.5 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' CYS . 41.5 m -102.6 94.37 5.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 49.2 t -34.52 127.54 0.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 6.76 7.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.07 -11.9 5.06 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.3 m -124.42 -31.62 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.807 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER 80.17 16.99 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 70.9 m-70 -113.54 164.08 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 3' ' ' ARG . 67.9 mt -75.44 148.1 39.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.46 117.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 27.9 p -49.1 178.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.43 8.14 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.95 -9.59 13.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB2' HG12 ' A' ' 29' ' ' VAL . 56.8 m -106.59 3.56 27.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 1.7 mtm180 -101.73 143.03 32.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.694 HD13 ' HA ' ' A' ' 45' ' ' LYS . 2.1 mp -114.22 113.71 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.66 111.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.12 163.16 16.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.1 p -89.24 20.24 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -113.33 17.0 18.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.69 0.09 79.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 t -121.56 -162.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.402 ' CE2' ' NH1' ' A' ' 34' ' ' ARG . 39.0 p-90 -149.31 154.47 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -145.92 139.28 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 p -43.38 166.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.694 ' HA ' HD13 ' A' ' 35' ' ' ILE . 2.6 mtpt -69.21 -15.5 63.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.51 -21.0 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.05 -48.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -15.58 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 23.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.811 0.338 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 82.57 71.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.521 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.77 144.61 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.5 t -53.55 142.54 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -86.51 8.91 20.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.461 ' NH1' HG21 ' A' ' 46' ' ' VAL . 11.2 mmt180 -129.57 -38.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.9 m -103.07 -24.61 13.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.508 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 65.68 23.58 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -101.63 134.51 44.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.15 148.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.783 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.574 ' CD1' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -94.56 32.39 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.892 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.83 123.9 4.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 43.29 82.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.781 HD23 ' ND2' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -151.41 -36.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.4 m 82.76 80.63 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.8 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 2.01 3.91 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -70.29 -20.99 62.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.2 p -139.72 26.16 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.781 ' ND2' HD23 ' A' ' 15' ' ' LEU . 88.5 m-20 -124.58 27.15 7.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -108.35 111.08 22.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 19.8 t -38.54 141.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HD3' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -89.82 -9.42 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.75 -11.38 21.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.6 m -121.77 -32.03 3.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER 78.22 20.36 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 67.3 m-70 -114.06 163.99 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD13 ' HG ' ' A' ' 12' ' ' LEU . 28.7 mt -74.57 149.72 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.04 119.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' VAL . 26.4 p -48.82 178.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.1 mtt85 -86.87 18.8 3.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -127.36 -8.49 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.481 ' HB2' HG12 ' A' ' 29' ' ' VAL . 60.4 m -106.2 10.7 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.563 ' C ' HD12 ' A' ' 35' ' ' ILE . 5.9 mtm180 -104.45 142.87 33.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.563 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.7 mp -113.99 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -49.29 119.52 3.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -100.21 167.88 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -92.93 9.5 35.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.84 1.08 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.16 62.67 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.386 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.671 HG21 ' HD3' ' A' ' 23' ' ' ARG . 4.7 t -111.31 -157.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 111.122 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.62 ' N ' HG23 ' A' ' 41' ' ' THR . 52.0 p-90 -150.95 153.8 35.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -138.81 131.57 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 p -39.99 160.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.529 ' CE ' HD11 ' A' ' 35' ' ' ILE . 4.6 mtpt -61.41 -21.67 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.461 HG21 ' NH1' ' A' ' 7' ' ' ARG . 1.5 t -78.74 -24.17 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m -98.07 -54.38 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' LYS . . . -63.71 -15.25 57.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ALA . 6.9 tptt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.844 0.354 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.8 66.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.468 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -116.51 141.26 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.4 t -43.17 151.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -101.03 5.03 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.699 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 7.0 mmm180 -123.28 -37.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.73 -12.36 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 58.38 57.46 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.473 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 21.1 mt-10 -118.62 153.99 33.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 t -59.24 137.68 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -101.9 25.03 9.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.79 -96.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -76.67 49.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 16' ' ' SER . 6.8 mt -126.18 -28.39 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.8 t 81.42 80.59 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 -1.56 8.75 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -80.72 -30.43 36.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -121.2 13.08 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 71.9 m-20 -109.32 20.85 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -98.9 114.61 27.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 41.6 t -49.11 132.6 19.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -84.88 8.86 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.828 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.62 -43.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.9 p -109.3 -21.23 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.8 11.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . 19.6 m-70 -94.29 157.0 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.2 138.89 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -148.01 111.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.1 p -49.17 179.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.475 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 10.7 ptt-85 -83.79 22.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -127.62 -8.35 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.461 ' HB2' HG12 ' A' ' 29' ' ' VAL . 94.9 m -114.99 19.11 16.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.889 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -110.01 147.37 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.889 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.3 mp -122.83 117.69 52.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.07 125.82 13.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -112.65 117.74 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -49.69 -27.17 4.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -44.67 -49.72 10.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.71 -33.89 0.32 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 42' ' ' TRP . 12.2 t -117.61 -152.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.121 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' N ' HG23 ' A' ' 41' ' ' THR . 34.6 p-90 -129.89 152.67 49.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.59 139.6 33.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' CYS . 15.6 p -54.09 147.26 13.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' N ' HD13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -38.88 -42.63 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.699 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 15.9 t -58.56 -40.79 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' CYS . 5.0 m -78.21 -53.58 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -30.91 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.031 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.81 63.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.536 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -116.13 149.23 39.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -88.3 15.86 7.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -134.17 -46.41 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.55 -19.71 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.536 ' C ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER 67.8 26.2 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -93.45 141.98 27.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -54.96 139.41 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -94.33 10.04 35.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -35.0 -82.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -76.81 52.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 12' ' ' LEU . 3.9 tp -146.22 15.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LEU . 57.8 m 35.5 75.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.81 65.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.735 2.29 . . . . 0.0 112.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -127.45 -8.29 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.78 13.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 82.2 m-20 -101.54 29.09 5.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -106.99 99.02 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.6 t -38.67 129.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -3.27 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.92 -47.46 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.8 p -106.14 -20.5 13.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER 79.61 20.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 48.5 m-70 -106.46 160.05 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.643 HD13 ' HG ' ' A' ' 12' ' ' LEU . 16.9 mt -75.3 148.83 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.685 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.97 118.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.561 ' HA ' HD21 ' A' ' 15' ' ' LEU . 27.9 p -49.0 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.6 ptp180 -81.71 14.4 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -121.11 -10.95 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.685 ' HB2' HG12 ' A' ' 29' ' ' VAL . 57.5 m -105.37 12.28 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.3 mtm180 -98.9 137.43 37.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.674 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.5 mp -108.47 99.14 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -37.95 100.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -82.79 161.89 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.59 12.99 23.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -104.43 28.81 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.96 14.13 65.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 42' ' ' TRP . 5.7 t -142.19 -156.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' N ' HG23 ' A' ' 41' ' ' THR . 49.2 p-90 -145.54 153.89 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HB2' ' HB2' ' A' ' 48' ' ' ALA . 3.4 mmt85 -139.52 132.34 29.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -43.34 165.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.674 ' HE2' HD11 ' A' ' 35' ' ' ILE . 2.1 mtpt -72.59 -6.49 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.548 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 5.7 t -94.4 -21.31 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.0 m -101.09 -51.79 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 43' ' ' ARG . . . -67.23 -32.32 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.847 0.356 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m-20 -120.29 -6.03 9.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.81 66.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.491 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -118.8 140.98 49.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 t -41.62 153.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.63 5.26 39.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 9.3 mmm180 -123.33 -35.33 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.82 -10.28 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.71 58.46 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' C ' HG22 ' A' ' 4' ' ' THR . 24.0 mt-10 -117.01 153.75 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.38 135.5 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.505 HD13 ' HG ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -93.74 -44.22 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 36.73 -111.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -76.6 52.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -107.69 -36.91 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER 82.69 80.73 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 0.96 4.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.76 -32.67 73.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.81 0.89 2.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 5.3 m-20 -90.97 42.23 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' CYS . 97.6 m -126.51 107.88 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 35.5 t -36.72 126.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -77.32 -1.55 30.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.82 13.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 85.4 m -125.35 -32.63 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 81.54 14.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -108.06 169.65 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD13 ' HG ' ' A' ' 12' ' ' LEU . 36.1 mt -81.91 149.55 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.91 112.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 26.2 p -48.82 177.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.59 21.12 1.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -125.11 -13.58 6.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.455 ' HB2' HG12 ' A' ' 29' ' ' VAL . 67.4 m -106.85 8.64 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.553 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -103.67 140.77 37.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.688 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.7 mp -113.48 111.19 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.95 103.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -77.14 138.6 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -51.74 -20.75 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.652 HD21 HG22 ' A' ' 41' ' ' THR . 40.1 p30 -78.69 -158.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.02 45.42 1.58 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.708 HG23 ' N ' ' A' ' 42' ' ' TRP . 1.6 t -167.92 -158.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.19 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.708 ' N ' HG23 ' A' ' 41' ' ' THR . 37.3 p-90 -146.43 152.93 39.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -136.29 134.43 37.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 p -42.99 166.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.688 ' HE2' HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -66.12 -19.19 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 15.9 t -83.99 -20.2 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.62 -50.01 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . . . -65.58 -17.18 64.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -54.28 173.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -86.92 88.93 7.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 tt -172.13 145.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -122.13 -178.97 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.91 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.2 OUTLIER -117.85 -5.75 11.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.57 73.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.489 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -120.63 146.77 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.9 t -53.64 147.42 11.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -91.69 8.77 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 2.6 mmm-85 -127.33 -44.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 m -101.05 -22.88 14.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.489 ' C ' HG22 ' A' ' 4' ' ' THR . 0.4 OUTLIER 66.73 30.37 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.67 140.95 36.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t -46.1 142.01 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.646 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -88.54 26.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' LEU . . . -56.66 150.62 26.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.9 27.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -117.04 -10.41 10.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.448 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 59.35 74.27 0.6 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.09 6.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.6 -41.23 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 t -136.74 64.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 16' ' ' SER . 76.3 m-20 -135.33 12.29 3.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -89.5 106.87 18.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 t -42.69 133.2 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -83.7 -0.97 53.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.25 -42.71 3.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 3.4 p -111.93 -18.9 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 78.49 26.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.613 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 51.0 m-70 -114.3 158.8 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.646 HD13 ' HG ' ' A' ' 12' ' ' LEU . 12.7 mt -74.45 150.09 40.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.794 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.65 119.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -51.23 -177.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 5.3 ptt180 -85.86 15.79 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -122.63 -15.04 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.794 ' HB2' HG12 ' A' ' 29' ' ' VAL . 91.4 m -102.34 10.41 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.2 mtt180 -98.95 137.51 37.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.6 mp -109.56 107.05 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.547 ' NE2' ' N ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -49.81 109.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.6 -0.76 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 44.07 74.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -174.12 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.62 -15.67 0.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 42' ' ' TRP . 6.4 t -125.82 -160.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.454 ' N ' HG23 ' A' ' 41' ' ' THR . 62.3 p-90 -159.77 159.99 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.13 133.17 21.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.8 p -45.88 171.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.704 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.5 mtpt -74.12 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 6.5 t -92.48 -20.94 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.0 m -100.0 -43.83 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -67.75 -24.84 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -58.28 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -177.63 65.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -45.73 -28.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.18 162.01 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.845 0.355 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 61.9 m-20 -121.25 -6.98 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER 82.68 67.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -114.86 144.97 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.164 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.8 t -56.63 144.23 32.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -87.44 1.18 54.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.401 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 7.5 mmm180 -123.31 -35.05 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.91 -25.8 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.27 36.35 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -114.51 154.48 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -52.74 139.68 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -90.22 -35.57 15.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.51 -125.19 5.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 76.0 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.81 HD13 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -127.21 -29.83 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.21 80.87 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.678 0.751 . . . . 0.0 110.811 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -7.58 21.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.99 -6.73 23.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.99 14.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' CG ' ' NH2' ' A' ' 34' ' ' ARG . 3.6 m-20 -114.82 26.87 9.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.1 m -109.0 103.87 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.5 t -41.77 130.84 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.42 -12.76 59.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.49 -11.67 40.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 96.8 m -127.48 -33.05 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER 81.34 20.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 52.2 m-70 -113.21 162.49 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 3' ' ' ARG . 45.4 mt -74.86 151.06 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.33 117.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -48.89 176.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.64 19.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -126.43 -8.64 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.406 ' HB2' HG12 ' A' ' 29' ' ' VAL . 81.4 m -109.36 10.88 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' CG ' ' A' ' 20' ' ' ASN . 4.4 mtt180 -105.49 137.97 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.9 mp -109.26 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -50.98 122.59 7.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -105.63 122.72 46.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -42.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -38.93 -40.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.54 4.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t -116.05 -160.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.192 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.3 p-90 -149.26 154.91 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' CYS . 1.3 mmm-85 -144.71 132.65 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' ARG . 10.0 p -38.29 157.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.609 ' HA ' HD13 ' A' ' 35' ' ' ILE . 4.2 mtpt -58.19 -23.16 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 2.8 t -80.09 -20.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.3 m -98.9 -50.74 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -26.02 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 124.31 52.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.42 84.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 tt -71.04 138.54 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 118.53 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.892 0.377 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 m-20 -120.06 -5.76 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 80.3 67.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.95 147.77 35.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.7 t -56.73 145.89 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -89.47 2.75 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 7.1 mmm180 -122.81 -39.75 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.8 m -101.82 -24.7 14.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 66.02 29.64 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.98 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.63 153.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 t -56.4 140.1 46.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.55 -37.97 17.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.94 -121.72 17.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.87 60.92 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -114.2 -26.26 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.9 t 80.7 80.66 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.88 19.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.246 . . . . 0.0 112.412 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -22.71 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -131.1 17.98 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.482 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 15.1 m-20 -114.96 7.0 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.7 m -87.47 98.36 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -38.52 127.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.32 7.94 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.98 -48.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.7 p -107.15 -20.12 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 3.1 m-80 77.85 34.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 49.7 m-70 -122.14 162.0 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 ' HG ' ' A' ' 12' ' ' LEU . 40.1 mt -75.9 144.83 40.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -150.62 117.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.3 p -48.03 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 19.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.98 -13.43 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.597 ' HB2' HG12 ' A' ' 29' ' ' VAL . 92.1 m -104.23 9.76 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 2.9 mtt180 -100.97 137.38 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.8 mp -105.54 104.81 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 114.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.15 171.23 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.34 5.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -96.82 17.47 16.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.28 12.27 84.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 t -135.32 -160.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 111.063 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -146.07 157.19 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.29 129.43 18.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.7 p -41.73 163.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.8 mtpt -69.37 -6.54 30.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.19 -18.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.5 m -106.26 -32.26 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.08 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -127.11 122.37 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -85.43 152.68 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.7 tt -157.13 149.65 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 41.25 82.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 1.6 m-20 -124.26 -6.7 7.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.82 64.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.539 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -114.01 146.19 40.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.6 t -57.8 148.46 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -89.15 6.23 40.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.521 ' HD3' HG23 ' A' ' 46' ' ' VAL . 3.6 mmm-85 -128.27 -39.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 m -101.77 -21.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.539 ' C ' HG22 ' A' ' 4' ' ' THR . 2.3 mt-30 59.78 33.51 21.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 4' ' ' THR . 4.9 mt-10 -110.78 144.55 39.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -40.94 143.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.626 HD13 ' HG ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -95.94 -31.08 13.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 35.1 -119.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -73.21 67.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.799 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.626 ' HG ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -120.28 -36.36 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.2 t 82.71 80.81 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.671 0.748 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -0.93 7.64 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.226 . . . . 0.0 112.407 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -59.53 -36.82 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.43 0.83 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.546 ' ND2' ' NH2' ' A' ' 34' ' ' ARG . 7.2 m-20 -86.85 30.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -116.6 102.47 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -37.55 127.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 10.8 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.78 -48.54 1.02 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.8 p -105.81 -20.69 13.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER 79.79 32.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 50.5 m-70 -121.34 160.45 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HG ' ' A' ' 12' ' ' LEU . 97.0 mt -75.73 151.13 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.94 118.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -47.72 174.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.3 16.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.01 -11.51 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' HB2' HG12 ' A' ' 29' ' ' VAL . 65.7 m -106.01 13.38 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.546 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 1.1 mtt180 -104.57 138.64 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.488 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.8 mp -107.62 118.09 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.501 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -57.53 109.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.96 151.66 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.62 16.83 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -101.21 -3.74 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 15.59 25.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 42' ' ' TRP . 5.1 t -149.21 -158.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.131 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.57 ' N ' HG23 ' A' ' 41' ' ' THR . 45.1 p-90 -144.82 153.92 42.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.02 140.77 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -48.85 163.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HE2' HD11 ' A' ' 35' ' ' ILE . 3.9 mtpt -67.42 -8.5 33.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG23 ' HD3' ' A' ' 7' ' ' ARG . 15.4 t -96.0 -18.26 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.18 -31.67 8.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.68 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.061 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.69 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.5 82.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -159.16 126.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.05 135.66 54.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.782 0.325 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 14.4 m-20 -116.63 5.12 13.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER 77.27 64.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -116.24 148.59 40.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.0 t -60.2 146.01 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -90.67 0.88 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.611 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.3 mmm180 -121.41 -35.47 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.0 m -105.33 -22.82 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 62.81 31.66 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' HG22 ' A' ' 4' ' ' THR . 3.3 mm-40 -106.18 161.28 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 p -62.03 139.91 58.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.629 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -89.13 31.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.63 123.31 2.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 35.05 67.33 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.629 HD13 HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -124.21 -26.88 3.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.6 t 82.69 78.48 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.636 0.731 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 3' ' ' ARG . 53.4 Cg_endo -69.77 -1.22 8.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -75.64 -17.41 60.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.52 20.28 2.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 15' ' ' LEU . 16.1 m-20 -114.03 18.62 17.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -100.9 96.19 7.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -39.12 125.03 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 2.72 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.52 -11.61 10.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 93.5 m -125.99 -29.71 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.4 m120 81.46 13.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 57.4 m-70 -113.18 165.27 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 66.2 mt -76.59 154.35 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.12 118.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.7 p -49.05 172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 30.7 ptt180 -79.66 9.91 4.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.3 -14.55 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.588 ' HB2' HG12 ' A' ' 29' ' ' VAL . 90.9 m -103.83 3.14 33.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 4.3 mtm180 -94.57 133.57 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.4 mp -111.63 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -48.66 118.06 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -94.63 164.94 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 m -94.6 20.51 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.48 1.99 18.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.4 62.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.446 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 t -118.65 -159.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.725 0.297 . . . . 0.0 111.114 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -145.93 155.52 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -143.41 137.45 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.5 p -42.04 163.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.878 ' HA ' HD13 ' A' ' 35' ' ' ILE . 2.2 mtpt -64.27 -15.27 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 16.2 t -90.81 -18.04 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 4.2 m -98.46 -44.84 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.667 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -65.21 -23.6 67.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -97.87 53.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.16 135.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 pt -145.23 17.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -115.69 52.61 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.927 0.394 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 -112.21 0.32 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 77.88 64.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.535 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.84 149.64 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -58.46 143.13 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.686 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -87.09 9.03 21.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.686 ' HE ' ' HB3' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -131.75 -33.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.24 -25.8 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.535 ' C ' HG22 ' A' ' 4' ' ' THR . 0.8 OUTLIER 65.84 28.63 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.51 ' N ' HG22 ' A' ' 4' ' ' THR . 4.1 mt-10 -108.11 143.55 36.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -50.03 136.54 18.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -80.41 -35.65 34.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 -109.98 2.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.76 58.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -105.74 -21.74 13.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.6 t 82.29 79.9 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.731 0.777 . . . . 0.0 110.812 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -3.7 12.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -30.42 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.06 7.53 8.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 65.7 m-20 -108.07 30.61 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' CYS . 18.8 m -109.22 98.35 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' THR . 43.5 t -36.2 125.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -3.2 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.22 -11.67 21.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 99.6 m -127.08 -33.03 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.897 0.379 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 81.12 22.74 0.33 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 64.8 m-70 -119.56 164.34 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD13 ' HG ' ' A' ' 12' ' ' LEU . 17.2 mt -75.28 144.09 42.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -148.51 114.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 30.8 p -47.17 173.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 39.8 ptt85 -79.6 6.97 9.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -110.78 -11.59 14.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.553 ' HB2' HG12 ' A' ' 29' ' ' VAL . 57.0 m -106.08 6.39 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.485 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -99.23 143.03 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 45' ' ' LYS . 2.0 mp -121.11 104.15 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.26 115.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.1 145.91 24.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -77.87 84.66 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.707 ' OD1' HG22 ' A' ' 41' ' ' THR . 17.9 p30 -178.53 -32.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.94 -2.99 5.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.707 HG22 ' OD1' ' A' ' 39' ' ' ASN . 11.0 t -118.16 -155.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.164 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.478 ' N ' HG23 ' A' ' 41' ' ' THR . 57.7 p-90 -158.39 154.88 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.94 139.21 32.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 p -48.21 160.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.753 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.6 mtpt -60.18 -20.24 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.96 -20.89 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.6 m -96.19 -47.5 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.8 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.21 -52.86 2.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 61.58 81.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 tt -112.37 2.67 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.508 ' O ' HD13 ' A' ' 53' ' ' LEU . 2.7 mt-10 -124.05 -13.64 7.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 52' ' ' GLU . 1.2 mm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -113.72 0.63 14.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 82.77 61.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.566 HG22 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -111.71 139.98 46.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.0 t -46.22 146.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -94.19 10.49 33.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HD2' HG23 ' A' ' 46' ' ' VAL . 3.5 mmt85 -130.39 -34.68 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 m -106.96 -28.43 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.87 31.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.566 ' C ' HG22 ' A' ' 4' ' ' THR . 6.5 mm-40 -105.16 160.19 15.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -66.35 138.8 57.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.043 HD13 HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -89.72 20.88 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -40.51 143.75 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER 34.51 54.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.92 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.043 HD23 HD13 ' A' ' 12' ' ' LEU . 10.3 tp -134.74 -35.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER 82.36 80.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.684 0.755 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.88 3.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -76.19 -44.42 37.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.86 26.28 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -120.31 16.03 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -92.93 105.57 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -44.84 130.0 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.11 13.97 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.29 -45.07 0.95 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 1.7 p -107.7 -25.01 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.77 28.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 27.1 m-70 -117.95 161.43 19.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 34.5 mt -74.34 146.39 43.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.642 HG12 ' CB ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.69 118.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.2 p -48.62 178.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.6 17.63 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -125.56 -12.38 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.642 ' CB ' HG12 ' A' ' 29' ' ' VAL . 37.1 m -99.41 -0.14 41.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -93.2 138.77 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.706 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.5 mp -107.76 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -43.61 104.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.39 179.38 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.1 m -110.17 8.55 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -96.32 3.87 52.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.48 -6.46 63.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -121.71 -158.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.413 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 66.6 p-90 -142.43 152.01 42.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -138.65 133.33 32.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.441 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 20.5 p -46.53 168.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.5 mtpt -71.92 -6.64 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 7' ' ' ARG . 14.5 t -98.49 -18.53 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.9 m -101.6 -35.63 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.69 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -69.12 -30.07 68.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 76.31 127.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.03 -77.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.34 -39.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.97 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 76.2 m-20 -111.12 -3.73 15.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.38 70.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.544 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -121.95 144.81 48.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.2 t -46.58 152.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.407 ' C ' ' HD2' ' A' ' 7' ' ' ARG . . . -101.67 6.9 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.581 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.1 mmm180 -123.79 -37.59 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.26 -13.13 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 59.51 58.0 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' C ' HG22 ' A' ' 4' ' ' THR . 1.9 mm-40 -116.37 155.47 28.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -60.06 133.66 56.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -93.31 15.25 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -46.14 136.24 8.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.565 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER 34.87 47.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -125.76 -11.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.3 t 80.11 76.34 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.04 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -86.94 -56.3 3.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -80.51 -4.16 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' ND2' HD23 ' A' ' 15' ' ' LEU . 80.1 m-20 -96.07 42.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 m -118.95 105.64 11.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 42.5 t -44.33 129.04 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.01 12.66 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.21 -11.69 2.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 94.8 m -126.24 -32.62 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.815 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 m120 82.26 16.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -106.98 171.22 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 28' ' ' LEU . 19.5 mt -83.58 144.85 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.501 HG13 ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -153.75 113.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 24.8 p -48.18 177.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 14.1 ptt85 -83.75 21.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.784 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -125.51 -11.96 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' HB2' HG12 ' A' ' 29' ' ' VAL . 66.1 m -109.23 15.97 22.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -107.2 142.38 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.771 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.7 mp -117.0 99.02 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.61 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.72 112.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.66 154.64 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -77.83 -7.92 57.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -75.76 0.89 16.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.15 -20.71 39.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 42' ' ' TRP . 6.6 t -116.85 -157.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.325 . . . . 0.0 111.184 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.506 ' N ' HG23 ' A' ' 41' ' ' THR . 20.8 p-90 -135.39 154.66 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -135.19 136.5 41.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.9 p -43.96 160.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.771 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.1 mtpt -63.5 -8.16 8.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.581 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 3.7 t -95.09 -22.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 m -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -63.26 -20.48 65.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -84.12 -29.61 26.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.04 -153.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.84 -20.74 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 59.44 157.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.456 ' C ' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.886 0.374 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 12.4 m-20 -110.72 7.09 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 78.12 67.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -119.31 144.08 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -49.83 147.27 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -96.96 17.14 17.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HD3' HG23 ' A' ' 46' ' ' VAL . 7.3 mmm-85 -133.36 -40.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.7 p -115.96 -13.94 11.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.42 ' C ' HG22 ' A' ' 4' ' ' THR . 0.4 OUTLIER 61.89 57.07 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' N ' HG22 ' A' ' 4' ' ' THR . 17.9 mm-40 -116.31 152.23 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.0 132.87 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -92.48 21.92 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.23 148.1 33.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 40.21 38.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -124.05 -17.97 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.88 80.5 0.19 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 0.08 6.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -76.92 -27.52 54.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -128.29 26.91 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -115.22 13.77 16.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -96.66 106.82 19.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.5 t -43.22 132.08 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 16.88 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.37 -47.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.495 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 2.0 p -106.94 -20.32 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.1 t-20 80.32 26.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 60.8 m-70 -112.74 161.91 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.433 HD13 ' HG ' ' A' ' 12' ' ' LEU . 27.2 mt -77.04 148.7 36.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.04 112.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 29.0 p -49.34 179.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.3 19.96 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -127.15 -9.0 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.525 ' HB2' HG12 ' A' ' 29' ' ' VAL . 64.1 m -112.64 17.32 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.612 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -113.05 155.75 24.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.642 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.9 mp -120.66 118.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 92.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -72.75 150.65 42.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 t -92.95 38.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -127.34 17.06 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 20.13 60.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 42' ' ' TRP . 7.2 t -156.7 -161.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.14 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.9 p-90 -141.01 159.52 42.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' NE ' ' HB3' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -145.59 129.75 17.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.6 p -42.56 161.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HE2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -66.17 -5.71 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' HD3' ' A' ' 7' ' ' ARG . 12.0 t -99.17 -18.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' NE ' ' A' ' 43' ' ' ARG . 57.7 m -104.09 -36.46 7.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.14 -30.82 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -95.33 106.14 18.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 50' ' ' GLU . 9.4 pt-20 -112.38 110.88 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.7 mt -83.1 132.33 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -41.24 -57.39 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.802 0.334 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER -128.99 2.46 5.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.1 mmt180 80.63 67.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.533 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -122.14 140.84 52.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.0 t -48.12 151.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -95.42 6.43 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.588 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.3 mmm180 -123.78 -47.82 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.71 -18.83 15.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.533 ' C ' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER 67.85 31.16 5.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 5.6 mm-40 -93.69 143.68 26.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -51.24 146.83 6.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.625 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -108.14 27.43 9.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -37.0 -91.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.411 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -83.54 38.66 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -98.33 -32.54 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 82.7 80.7 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.704 0.764 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 1.25 4.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.234 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -74.73 -30.55 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.01 2.72 4.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.508 ' O ' HD23 ' A' ' 28' ' ' LEU . 3.8 m-20 -95.86 49.45 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -132.33 110.83 10.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.47 137.81 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.97 17.71 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.03 -45.75 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 2.0 p -106.56 -20.82 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 2.7 m120 76.87 27.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 45.5 m-70 -113.83 161.53 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 ' HG ' ' A' ' 12' ' ' LEU . 48.9 mt -74.99 146.29 41.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.35 117.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.477 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 27.2 p -50.23 177.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -82.94 18.93 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -126.48 -8.44 6.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.681 ' HB2' HG12 ' A' ' 29' ' ' VAL . 68.1 m -107.36 9.84 29.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' NH2' ' ND2' ' A' ' 20' ' ' ASN . 22.5 mtt180 -98.84 134.18 42.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.521 HD11 ' CE ' ' A' ' 45' ' ' LYS . 1.8 mp -104.19 106.09 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.52 114.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 26.9 mm-40 -88.81 -23.72 22.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 0.2 OUTLIER 78.41 -46.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 37' ' ' GLU . 13.3 p30 -39.5 -31.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 39' ' ' ASN . . . 147.95 -12.21 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 42' ' ' TRP . 7.0 t -131.39 -156.57 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.773 0.32 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.509 ' N ' HG23 ' A' ' 41' ' ' THR . 61.9 p-90 -152.7 159.66 43.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.44 140.07 31.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.14 166.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' CE ' HD11 ' A' ' 35' ' ' ILE . 3.2 mtpt -68.51 -10.83 58.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.588 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 10.4 t -91.81 -23.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.0 m -99.63 -42.22 6.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -71.85 -35.49 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -114.14 165.47 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 67.93 168.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 pt -102.88 172.37 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.07 159.56 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.2 m-20 -120.3 -7.57 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER 82.81 68.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.488 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -120.84 143.19 49.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 t -54.81 151.45 8.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -93.62 1.84 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.071 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 6.5 mmm180 -123.67 -40.87 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 m -101.02 -21.6 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.481 ' C ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER 65.64 27.29 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -96.76 150.4 20.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 145.39 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD13 HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -105.99 27.42 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.82 -94.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -83.14 58.1 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 30' ' ' CYS . 7.6 tp -136.38 3.01 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m 57.12 75.26 0.58 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.0 7.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -78.44 -29.18 46.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 p -119.22 23.61 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -117.65 20.37 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -98.65 96.07 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -38.29 131.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' NE ' ' OG1' ' A' ' 41' ' ' THR . 0.5 OUTLIER -85.3 21.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.81 -37.63 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 4.0 p -116.73 -14.29 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.471 ' CG ' ' C ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER 74.53 20.87 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 43.5 m-70 -106.19 157.24 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 3' ' ' ARG . 27.0 mt -75.18 148.27 39.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.74 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.07 119.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' HD21 ' A' ' 15' ' ' LEU . 26.9 p -50.13 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HG3' HD11 ' A' ' 15' ' ' LEU . 7.2 mtm180 -85.52 18.04 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -126.46 -10.21 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.74 ' HB2' HG12 ' A' ' 29' ' ' VAL . 66.6 m -105.62 2.53 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 2.6 mtm180 -97.24 133.13 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.45 HD11 ' CE ' ' A' ' 45' ' ' LYS . 1.7 mp -106.23 124.76 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -62.28 122.3 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -102.92 160.8 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -95.67 81.02 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -173.16 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.14 -0.65 3.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 42' ' ' TRP . 11.3 t -126.27 -157.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 111.161 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.461 ' CE3' ' HB3' ' A' ' 34' ' ' ARG . 68.7 p-90 -155.4 161.71 40.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.49 136.16 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.6 p -46.64 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CE ' HD11 ' A' ' 35' ' ' ILE . 3.5 mtpt -69.88 -9.17 53.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.427 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 5.5 t -94.75 -20.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.8 m -104.27 -37.78 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.28 -31.02 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.4 118.56 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -48.36 108.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 tt -52.83 141.98 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -43.5 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.8 m-20 -116.55 1.25 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 81.54 74.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.567 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -126.66 145.33 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.7 t -49.37 136.97 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.01 20.95 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.423 ' HG2' HG13 ' A' ' 29' ' ' VAL . 8.5 mmt180 -134.09 -48.67 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -104.63 -22.98 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.79 46.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -106.65 155.32 19.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.62 140.11 58.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -100.5 7.0 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.45 -90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.529 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -76.4 50.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.54 HD22 HD21 ' A' ' 20' ' ' ASN . 1.0 OUTLIER -141.03 12.12 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.2 80.58 0.28 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.748 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 66.29 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -139.32 -51.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.47 1.1 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.54 HD21 HD22 ' A' ' 15' ' ' LEU . 84.0 m-20 -97.24 30.21 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -108.01 112.94 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.48 129.41 28.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.662 ' NH1' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -79.75 -12.37 59.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.19 -12.16 43.25 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.2 m -124.24 -32.83 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER 80.49 22.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -118.38 162.83 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' HG ' ' A' ' 12' ' ' LEU . 23.5 mt -76.46 147.68 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.36 117.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.47 ' HA ' HD13 ' A' ' 15' ' ' LEU . 22.5 p -50.97 176.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 26.2 ptt180 -83.93 22.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -126.44 -10.88 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' HB2' HG12 ' A' ' 29' ' ' VAL . 65.8 m -110.11 11.84 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -105.12 144.85 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.869 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.5 mp -113.87 95.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.587 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.97 113.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.1 -19.66 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.04 8.51 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -105.2 27.68 8.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.72 -13.55 59.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.662 HG21 ' NH1' ' A' ' 23' ' ' ARG . 10.7 t -152.04 -161.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.201 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -147.07 163.56 35.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.72 132.79 27.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 p -43.04 166.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.869 ' HA ' HD13 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -66.03 -19.31 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.402 HG23 ' HD2' ' A' ' 7' ' ' ARG . 4.1 t -82.47 -21.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.7 m -97.89 -52.38 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -70.22 -10.23 58.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.48 138.17 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.96 149.04 44.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.42 -30.28 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -168.36 47.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 52' ' ' GLU . 2.7 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 7.0 m-20 -114.32 -0.2 13.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.73 68.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.543 HG22 ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -123.42 139.07 54.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.4 t -48.41 152.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -96.64 3.08 52.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.795 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.9 mmm180 -123.73 -40.13 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 m -100.96 -23.35 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.42 29.83 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.543 ' C ' HG22 ' A' ' 4' ' ' THR . 7.6 mt-10 -100.4 151.77 21.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 p -56.37 146.57 23.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.616 ' HG ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -103.74 26.95 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -34.48 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 19.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 30' ' ' CYS . 3.1 mm? -75.69 -37.55 59.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER 82.74 76.21 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.895 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 0.95 4.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -32.74 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.62 0.51 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -86.98 45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -125.7 105.18 8.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.5 128.13 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.48 4.24 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -49.99 1.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.4 p -105.08 -19.25 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER 76.41 23.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 43.3 m-70 -107.61 159.01 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.616 HD13 ' HG ' ' A' ' 12' ' ' LEU . 28.9 mt -74.25 141.79 45.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.521 HG12 ' CB ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -148.29 116.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HA ' HD12 ' A' ' 15' ' ' LEU . 26.6 p -46.81 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.9 mtm-85 -79.52 11.67 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -119.29 -8.46 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.521 ' CB ' HG12 ' A' ' 29' ' ' VAL . 55.6 m -107.67 6.2 27.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 14.9 mtm180 -94.83 139.08 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.9 mp -116.81 98.4 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.576 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -36.23 141.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -126.09 178.58 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.45 -11.62 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -83.06 37.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.41 24.98 32.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.562 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -150.33 -161.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -141.91 161.73 37.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -140.4 142.35 35.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.2 p -52.61 167.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.742 ' HA ' HD13 ' A' ' 35' ' ' ILE . 1.6 mtpt -70.51 -9.72 57.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.795 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 12.0 t -96.78 -18.85 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.8 m -102.15 -31.98 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.85 -21.37 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.94 125.01 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.7 79.54 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.54 -15.77 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.21 137.97 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.7 OUTLIER -109.36 0.91 19.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 81.46 64.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.487 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -113.74 145.39 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.19 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HB3' ' N ' ' A' ' 9' ' ' GLN . 9.0 t -43.62 151.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 14.09 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.543 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 23.2 mmm180 -138.33 -38.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.3 p -115.42 -5.38 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' HB3' ' A' ' 5' ' ' CYS . 2.3 mm-40 50.23 57.9 6.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 68.6 mt-10 -111.46 155.96 22.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.29 128.6 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 15' ' ' LEU . 1.2 mm? -94.18 10.01 35.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -36.63 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -78.38 47.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 12' ' ' LEU . 1.6 tp -129.68 -5.16 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 m 53.79 78.33 0.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.676 0.75 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.19 4.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -76.76 0.99 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.03 17.07 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 77.5 m-20 -115.4 26.86 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -104.16 101.8 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.9 t -38.58 140.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -94.36 2.15 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.86 -30.27 6.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.3 p -122.25 -25.71 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER 82.75 28.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 25' ' ' CYS . 54.6 m-70 -111.81 162.33 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.503 HD13 ' HG ' ' A' ' 12' ' ' LEU . 13.6 mt -77.89 142.46 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.483 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -155.38 112.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 26.3 p -48.99 179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 18.6 ptt180 -83.7 21.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -124.37 -23.07 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' HB2' HG12 ' A' ' 29' ' ' VAL . 67.0 m -97.15 11.81 35.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -105.27 154.14 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.726 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.7 mp -117.74 107.33 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -51.75 109.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.74 -24.86 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t 67.0 8.34 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.434 ' OD1' HG22 ' A' ' 41' ' ' THR . 0.6 OUTLIER -100.87 6.45 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.06 -14.66 19.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.591 HG23 ' N ' ' A' ' 42' ' ' TRP . 4.3 t -138.02 -158.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.591 ' N ' HG23 ' A' ' 41' ' ' THR . 66.7 p-90 -152.43 160.3 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.5 132.17 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.1 p -46.06 168.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.726 ' HA ' HD13 ' A' ' 35' ' ' ILE . 3.9 mtpt -70.91 -5.87 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.543 ' CG2' ' CZ ' ' A' ' 7' ' ' ARG . 12.4 t -98.8 -19.31 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.1 m -104.6 -30.37 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 -19.52 28.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -133.09 60.92 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER 174.21 -50.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.496 ' C ' HD12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER 34.94 90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -79.74 -50.36 10.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.0 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.862 0.363 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.4 m-20 -117.65 -7.21 11.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 2.5 mmt180 82.62 72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.452 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.36 143.25 47.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.0 t -49.7 141.9 9.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.62 17.71 12.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.553 ' HD2' HG23 ' A' ' 46' ' ' VAL . 8.3 mmt180 -131.85 -37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.1 p -119.2 -13.42 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.17 55.78 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 4' ' ' THR . 17.8 mm-40 -113.99 161.36 17.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.24 128.04 35.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -83.96 23.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.26 138.56 43.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.77 54.23 10.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 12' ' ' LEU . 10.6 mt -130.78 -94.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.3 t 161.11 75.82 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.762 0.791 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 2.77 3.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -22.5 18.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 p -128.42 5.5 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -103.21 32.23 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -107.92 103.39 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 33.7 t -41.78 141.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -92.06 -14.35 29.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.72 -10.9 42.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 88.9 m -124.88 -32.17 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.488 ' ND2' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER 78.18 23.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -117.55 172.36 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' C ' HG22 ' A' ' 29' ' ' VAL . 17.4 mt -79.3 151.44 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -158.22 119.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.4 p -53.14 175.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.97 20.84 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -125.28 -12.86 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 m -106.15 8.73 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.605 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -99.52 138.82 36.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.605 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.7 mp -114.56 112.89 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.66 121.56 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.46 151.35 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.24 79.47 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.04 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.99 -6.69 3.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -121.65 -161.41 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 111.12 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CZ3' ' HA ' ' A' ' 22' ' ' CYS . 55.5 p-90 -150.09 164.09 36.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.52 129.29 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.3 p -39.78 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HA ' HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -55.48 -36.47 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 ' HD2' ' A' ' 7' ' ' ARG . 24.1 t -66.78 -22.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.5 m -92.94 -51.74 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -64.66 -20.07 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 139.67 53.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.16 88.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.548 HD12 ' N ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -104.89 114.99 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 51' ' ' ILE . 12.9 mp0 -90.3 106.5 18.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -119.72 -7.58 10.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.78 66.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.46 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -111.83 143.63 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.7 t -55.36 146.17 20.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -87.51 0.33 55.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 6.2 mmm180 -123.7 -35.24 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.98 -27.02 13.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 64.86 27.18 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' N ' HG22 ' A' ' 4' ' ' THR . 2.3 mm-40 -107.23 147.21 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.5 t -52.18 131.44 32.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.037 HD13 HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -77.76 -40.31 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 34.44 -129.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.73 91.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.037 HD23 HD13 ' A' ' 12' ' ' LEU . 15.5 tp -165.24 -93.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.5 p 160.27 78.81 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' CB ' ' HD2' ' A' ' 3' ' ' ARG . 53.8 Cg_endo -69.79 2.74 3.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -96.42 -34.76 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.7 p -107.8 19.06 20.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.41 HD21 HD11 ' A' ' 15' ' ' LEU . 73.7 m-20 -126.18 30.5 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' CYS . 41.5 m -102.6 94.37 5.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 49.2 t -34.52 127.54 0.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 6.76 7.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.07 -11.9 5.06 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.3 m -124.42 -31.62 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.807 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER 80.17 16.99 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 70.9 m-70 -113.54 164.08 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 3' ' ' ARG . 67.9 mt -75.44 148.1 39.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.46 117.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 34' ' ' ARG . 27.9 p -49.1 178.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.43 8.14 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.95 -9.59 13.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB2' HG12 ' A' ' 29' ' ' VAL . 56.8 m -106.59 3.56 27.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 1.7 mtm180 -101.73 143.03 32.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.694 HD13 ' HA ' ' A' ' 45' ' ' LYS . 2.1 mp -114.22 113.71 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.66 111.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.12 163.16 16.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.1 p -89.24 20.24 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -113.33 17.0 18.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.819 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.69 0.09 79.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 t -121.56 -162.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.402 ' CE2' ' NH1' ' A' ' 34' ' ' ARG . 39.0 p-90 -149.31 154.47 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -145.92 139.28 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 p -43.38 166.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.694 ' HA ' HD13 ' A' ' 35' ' ' ILE . 2.6 mtpt -69.21 -15.5 63.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.51 -21.0 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.05 -48.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -15.58 62.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 50' ' ' GLU . 2.6 ttpm? -49.19 -65.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' N ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -160.67 24.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp 64.87 99.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.3 37.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 23.0 m-20 -122.74 -4.0 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 82.57 71.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.521 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.77 144.61 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.5 t -53.55 142.54 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -86.51 8.91 20.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.461 ' NH1' HG21 ' A' ' 46' ' ' VAL . 11.2 mmt180 -129.57 -38.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.9 m -103.07 -24.61 13.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' C ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 65.68 23.58 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -101.63 134.51 44.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.15 148.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.783 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.574 ' CD1' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -94.56 32.39 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.892 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.83 123.9 4.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 43.29 82.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.781 HD23 ' ND2' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -151.41 -36.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.4 m 82.76 80.63 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.8 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 2.01 3.91 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -70.29 -20.99 62.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.2 p -139.72 26.16 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.781 ' ND2' HD23 ' A' ' 15' ' ' LEU . 88.5 m-20 -124.58 27.15 7.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -108.35 111.08 22.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 19.8 t -38.54 141.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HD3' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -89.82 -9.42 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.75 -11.38 21.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 84.6 m -121.77 -32.03 3.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER 78.22 20.36 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 67.3 m-70 -114.06 163.99 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD13 ' HG ' ' A' ' 12' ' ' LEU . 28.7 mt -74.57 149.72 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -154.04 119.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' VAL . 26.4 p -48.82 178.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.1 mtt85 -86.87 18.8 3.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -127.36 -8.49 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.481 ' HB2' HG12 ' A' ' 29' ' ' VAL . 60.4 m -106.2 10.7 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.563 ' C ' HD12 ' A' ' 35' ' ' ILE . 5.9 mtm180 -104.45 142.87 33.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.563 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.7 mp -113.99 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -49.29 119.52 3.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -100.21 167.88 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -92.93 9.5 35.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -98.84 1.08 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.16 62.67 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.386 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.671 HG21 ' HD3' ' A' ' 23' ' ' ARG . 4.7 t -111.31 -157.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 111.122 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.62 ' N ' HG23 ' A' ' 41' ' ' THR . 52.0 p-90 -150.95 153.8 35.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -138.81 131.57 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 p -39.99 160.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.529 ' CE ' HD11 ' A' ' 35' ' ' ILE . 4.6 mtpt -61.41 -21.67 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.461 HG21 ' NH1' ' A' ' 7' ' ' ARG . 1.5 t -78.74 -24.17 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m -98.07 -54.38 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' LYS . . . -63.71 -15.25 57.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ALA . 6.9 tptt -34.28 -64.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -150.49 177.28 10.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 51' ' ' ILE . 0.7 OUTLIER -70.14 120.32 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.84 95.52 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER -119.86 -8.9 9.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 82.8 66.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.468 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -116.51 141.26 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.4 t -43.17 151.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . . . -101.03 5.03 42.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.699 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 7.0 mmm180 -123.28 -37.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.73 -12.36 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 58.38 57.46 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 21.1 mt-10 -118.62 153.99 33.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 t -59.24 137.68 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -101.9 25.03 9.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.79 -96.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -76.67 49.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 16' ' ' SER . 6.8 mt -126.18 -28.39 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 1.8 t 81.42 80.59 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 -1.56 8.75 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -80.72 -30.43 36.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -121.2 13.08 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 71.9 m-20 -109.32 20.85 17.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -98.9 114.61 27.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 41.6 t -49.11 132.6 19.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -84.88 8.86 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.828 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.62 -43.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.9 p -109.3 -21.23 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.3 t-20 82.8 11.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . 19.6 m-70 -94.29 157.0 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.2 138.89 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -148.01 111.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.1 p -49.17 179.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.475 ' HA ' ' CD ' ' A' ' 34' ' ' ARG . 10.7 ptt-85 -83.79 22.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -127.62 -8.35 5.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.461 ' HB2' HG12 ' A' ' 29' ' ' VAL . 94.9 m -114.99 19.11 16.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.889 ' C ' HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -110.01 147.37 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.889 HD12 ' C ' ' A' ' 34' ' ' ARG . 1.3 mp -122.83 117.69 52.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.07 125.82 13.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -112.65 117.74 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -49.69 -27.17 4.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -44.67 -49.72 10.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.71 -33.89 0.32 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 42' ' ' TRP . 12.2 t -117.61 -152.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.121 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' N ' HG23 ' A' ' 41' ' ' THR . 34.6 p-90 -129.89 152.67 49.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.59 139.6 33.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' CYS . 15.6 p -54.09 147.26 13.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' N ' HD13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -38.88 -42.63 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.699 HG21 ' CZ ' ' A' ' 7' ' ' ARG . 15.9 t -58.56 -40.79 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' CYS . 5.0 m -78.21 -53.58 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -30.91 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.031 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.99 -36.94 56.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 68.92 142.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.66 -162.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.188 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -124.47 -78.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.843 0.354 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 3.1 m-20 -127.48 -8.22 5.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 82.81 63.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.536 HG22 ' C ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -116.13 149.23 39.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . . . -88.3 15.86 7.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -134.17 -46.41 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.55 -19.71 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.536 ' C ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER 67.8 26.2 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -93.45 141.98 27.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -54.96 139.41 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -94.33 10.04 35.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . -35.0 -82.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -76.81 52.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 12' ' ' LEU . 3.9 tp -146.22 15.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LEU . 57.8 m 35.5 75.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.81 65.14 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.735 2.29 . . . . 0.0 112.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -127.45 -8.29 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.78 13.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 15' ' ' LEU . 82.2 m-20 -101.54 29.09 5.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -106.99 99.02 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.6 t -38.67 129.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -3.27 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.92 -47.46 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.8 p -106.14 -20.5 13.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER 79.61 20.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 48.5 m-70 -106.46 160.05 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.643 HD13 ' HG ' ' A' ' 12' ' ' LEU . 16.9 mt -75.3 148.83 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.685 HG12 ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -153.97 118.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.561 ' HA ' HD21 ' A' ' 15' ' ' LEU . 27.9 p -49.0 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 1.6 ptp180 -81.71 14.4 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -121.11 -10.95 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.685 ' HB2' HG12 ' A' ' 29' ' ' VAL . 57.5 m -105.37 12.28 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 31' ' ' ARG . 13.3 mtm180 -98.9 137.43 37.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.674 HD11 ' HE2' ' A' ' 45' ' ' LYS . 1.5 mp -108.47 99.14 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -37.95 100.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -82.79 161.89 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.59 12.99 23.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -104.43 28.81 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.96 14.13 65.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 42' ' ' TRP . 5.7 t -142.19 -156.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.573 ' N ' HG23 ' A' ' 41' ' ' THR . 49.2 p-90 -145.54 153.89 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HB2' ' HB2' ' A' ' 48' ' ' ALA . 3.4 mmt85 -139.52 132.34 29.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -43.34 165.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.674 ' HE2' HD11 ' A' ' 35' ' ' ILE . 2.1 mtpt -72.59 -6.49 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.548 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 5.7 t -94.4 -21.31 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.0 m -101.09 -51.79 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 43' ' ' ARG . . . -67.23 -32.32 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.74 150.47 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -125.82 29.57 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' LEU . 6.1 mm 45.51 77.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 43.88 -92.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_