data_1x4s_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 1x4s _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 121.457 0.476 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 107.14 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.289 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 t -48.62 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.14 -35.11 15.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 19.7 m-85 -45.15 -31.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.64 157.03 40.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.668 0.746 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.2 Cg_endo -69.83 136.82 33.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.33 126.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.67 -47.57 1.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.17 46.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.5 t -79.2 118.83 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -116.62 152.11 47.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 98.61 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -63.01 89.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -69.44 -23.27 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.515 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.6 m-85 -109.65 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -157.33 143.87 18.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.118 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 2.8 t -62.86 114.79 13.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.12 2.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -115.11 -33.77 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 33' ' ' ASN . 13.0 p -131.26 21.41 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 7.3 t-20 35.75 54.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 28' ' ' THR . . . -107.08 115.27 60.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 111.104 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.473 ' N ' HG22 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.74 116.38 4.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 46.7 p90 -123.91 135.37 53.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -60.04 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.56 179.58 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.414 HD21 ' CD2' ' A' ' 42' ' ' TYR . 0.5 OUTLIER -53.84 -39.2 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -44.35 -63.47 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.9 -44.78 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.576 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 47.2 t80 -43.97 -27.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.35 -33.81 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.6 m -71.54 -53.19 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -42.77 -53.82 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.642 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -161.81 164.72 35.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 p -98.31 39.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 121.43 0.461 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 111.12 2.71 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -42.23 99.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.85 44.42 3.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -133.38 -34.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.71 157.8 18.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.73 132.01 22.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.03 115.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.01 -44.36 1.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -93.65 43.24 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.76 125.13 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -121.04 154.95 58.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.22 73.23 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -60.46 -23.88 64.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.52 166.59 10.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -152.96 148.0 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.0 119.46 52.16 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 5.48 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -120.78 -48.74 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 33' ' ' ASN . 11.5 p -112.65 22.2 14.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 32' ' ' CYS . 12.2 t-20 32.67 54.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' N ' HG22 ' A' ' 28' ' ' THR . . . -103.11 113.56 65.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.739 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.301 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 40.8 p90 -120.99 136.34 55.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.12 -48.38 78.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -143.17 175.41 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.99 -38.19 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 18.1 ptp180 -45.58 -54.69 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 16.2 m -69.8 -39.27 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.551 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 23.9 t80 -52.23 -28.27 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -91.03 -33.96 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' HIS . 93.1 m -74.15 -58.91 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -34.71 -48.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.557 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -163.35 -173.73 32.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 p -114.49 43.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.156 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 121.454 0.475 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.5 Cg_endo -69.78 110.3 2.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.234 . . . . 0.0 112.314 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' PRO . 10.2 t -36.49 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.03 35.68 3.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 27.5 m-85 -125.16 -34.3 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.57 157.13 19.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.74 136.52 33.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -30.17 134.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.33 -44.62 2.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -86.86 40.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -77.42 121.33 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -118.25 154.58 51.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.84 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.86 87.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 mtt-85 -65.26 -35.24 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.567 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -98.42 177.28 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -162.56 145.74 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.142 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 31' ' ' ARG . 1.9 t -60.63 115.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.94 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 29' ' ' CYS . 9.2 mtt-85 -119.18 -40.0 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' ASN . 9.4 p -124.32 23.38 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.7 m120 33.95 54.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' N ' HG22 ' A' ' 28' ' ' THR . . . -105.39 112.81 64.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.402 ' N ' HG21 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 121.93 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 31.9 p90 -129.86 130.75 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -56.91 -47.71 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 m -143.77 173.95 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -51.17 -44.88 61.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.78 -37.93 2.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.19 -35.8 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.522 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 28.5 t80 -56.87 -24.3 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -96.74 -36.43 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' HIS . 84.2 m -70.83 -55.4 8.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -35.35 -47.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -162.94 169.47 38.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -100.33 40.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 121.431 0.461 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.78 3.82 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -41.73 97.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.5 39.89 2.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -128.96 -33.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.95 156.8 23.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.78 136.92 34.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.401 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.59 125.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.19 -42.45 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -91.61 41.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 118.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -118.14 153.23 51.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.15 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB2' ' N ' ' A' ' 36' ' ' TYR . . . -72.05 78.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.6 mmt-85 -58.53 -17.54 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.555 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 9.2 m-85 -122.57 -177.74 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -163.3 149.22 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.096 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 31' ' ' ARG . 3.5 t -67.92 115.93 33.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 7.47 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 29' ' ' CYS . 15.1 mtp180 -118.0 -38.11 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 33' ' ' ASN . 11.6 p -129.71 28.25 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.3 m-20 31.91 54.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 28' ' ' THR . . . -102.41 109.64 60.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.441 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 54.1 Cg_endo -69.74 109.0 2.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 41.1 p90 -115.73 140.0 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -63.83 -42.41 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -151.77 167.9 26.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' N ' HD21 ' A' ' 39' ' ' LEU . 4.6 mm? -44.87 -31.93 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -51.97 -65.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 m -62.22 -31.29 71.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.587 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 17.8 t80 -57.33 -28.83 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -91.76 -32.79 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -72.72 -55.84 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.651 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.2 p-80 -37.67 -54.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.651 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -154.74 172.47 33.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -100.74 15.3 28.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 121.453 0.474 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 106.78 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -49.76 102.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.81 -41.28 28.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 15.0 m-85 -39.7 -37.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.59 157.05 80.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.76 52.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.397 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 144.7 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.27 -55.71 4.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' VAL . 55.4 mm-40 -58.72 -11.02 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLU . 94.7 t -37.52 120.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -120.43 154.69 56.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.03 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -60.87 94.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -69.32 -35.15 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.563 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.3 m-85 -95.46 -178.84 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -167.65 145.35 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.98 116.27 17.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.98 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.719 2.28 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -117.87 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 33' ' ' ASN . 10.7 p -126.82 26.7 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.4 m120 31.21 55.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' N ' HG22 ' A' ' 28' ' ' THR . . . -103.11 111.91 65.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.605 0.717 . . . . 0.0 111.064 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 122.83 9.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 22.3 p90 -132.0 127.73 36.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -54.84 -41.44 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -148.8 169.87 19.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' ARG . 1.9 tp -49.58 -45.15 47.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -37.29 -51.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.3 m -73.18 -36.53 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.563 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 39.2 t80 -50.49 -30.81 13.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 mtt-85 -90.64 -35.66 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -69.91 -56.99 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.2 p-80 -38.01 -49.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.574 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -165.47 169.58 39.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.8 p -102.85 41.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 121.398 0.443 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.93 6.8 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.31 103.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.2 33.87 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' ' O ' ' A' ' 35' ' ' PRO . 4.4 m-85 -128.02 -10.24 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.98 158.96 31.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ALA . 52.9 Cg_endo -69.87 143.16 49.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.227 . . . . 0.0 112.356 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -35.89 149.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 -53.66 3.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -76.88 -19.18 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 p -44.98 97.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.427 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 48.0 mt-30 -79.83 155.18 75.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 101.2 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -55.18 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.53 -19.11 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.6 m-85 -121.3 -178.77 3.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -156.52 130.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -45.52 114.0 2.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 8.94 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 29' ' ' CYS . 13.8 mmt180 -117.87 -45.92 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 p -116.0 3.63 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' CYS . 15.4 m-80 55.37 54.11 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 28' ' ' THR . . . -106.33 114.71 61.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.061 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.423 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 53.6 Cg_endo -69.79 101.39 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 50.3 p90 -106.01 153.94 21.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 20.2 p -78.07 -41.09 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 m -153.45 173.27 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.59 -45.51 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -40.32 -62.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.71 -46.1 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.533 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.4 t80 -42.66 -26.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -97.49 -37.21 10.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 45' ' ' HIS . 57.8 m -70.47 -54.87 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 5.0 p-80 -33.21 -42.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -178.08 173.57 46.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -100.22 84.99 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 121.397 0.443 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 122.03 8.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.7 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.3 35.24 2.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -125.87 -21.09 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.03 162.99 55.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.56 56.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.12 102.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.18 -38.17 2.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -107.72 36.75 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 22' ' ' VAL . 2.3 p -89.29 66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -50.26 155.06 1.82 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 101.28 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -56.06 93.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -66.4 -33.07 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -104.89 -174.35 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.477 HG21 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -161.72 146.46 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.8 118.75 41.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.18 -47.45 3.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' ASN . 14.5 p -119.37 26.94 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' CYS . 17.1 m-20 31.82 54.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' N ' HG21 ' A' ' 28' ' ' THR . . . -103.89 114.01 64.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 53.6 Cg_endo -69.73 111.43 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.509 ' CG ' ' HB2' ' A' ' 42' ' ' TYR . 39.0 p90 -114.89 140.91 48.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -68.0 -46.88 70.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' LEU . 12.9 t -146.41 154.07 41.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' SER . 1.0 OUTLIER -35.25 -35.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.2 ptp180 -49.99 -54.0 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -72.16 -33.02 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.596 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 56.6 t80 -55.61 -27.93 52.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -93.89 -35.9 12.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' HIS . 75.7 m -69.86 -55.61 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 4.9 p-80 -34.17 -54.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.58 174.37 42.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.443 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.1 p -101.92 85.39 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.178 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 121.417 0.454 . . . . 0.0 112.539 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 110.98 2.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.1 t -49.35 104.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.9 -28.32 42.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -51.67 -29.21 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.51 156.98 68.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.78 137.17 34.75 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.58 127.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -46.11 1.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -86.36 42.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -77.12 119.52 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.76 154.73 52.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . -65.64 91.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -69.89 -23.68 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.8 m-85 -108.87 177.3 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -161.14 138.83 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.144 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.0 t -60.93 115.95 16.42 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 6.76 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -113.28 -35.18 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 p -134.99 28.14 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.4 m120 32.66 54.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 28' ' ' THR . . . -102.57 109.57 61.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.098 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.454 ' N ' HG22 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.81 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.2 p90 -119.91 146.19 46.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -66.3 -48.61 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.12 -175.0 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.4 -40.48 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.93 -38.38 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.4 m -87.04 -21.48 26.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.495 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 25.2 t80 -69.01 -22.99 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -97.93 -31.11 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' HIS . 74.0 m -76.82 -55.77 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.646 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.1 p-80 -33.93 -55.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.646 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -166.71 163.1 36.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.4 p -94.13 80.03 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 121.406 0.448 . . . . 0.0 112.511 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.14 2.48 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.242 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.7 t -56.54 108.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.58 11.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -40.33 -36.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.17 155.93 42.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.75 138.93 39.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.74 126.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.57 -44.04 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -85.05 43.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.374 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.24 117.41 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -113.17 157.14 41.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.14 2.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 35' ' ' PRO . . . -72.0 68.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -54.92 -28.23 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.575 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 8.3 m-85 -109.17 177.52 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -159.74 144.39 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ASN . 2.0 t -63.81 114.12 12.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 4.56 2.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.88 -34.05 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' ASN . 12.0 p -133.89 26.1 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 22.4 m120 33.67 54.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.401 ' N ' HG23 ' A' ' 28' ' ' THR . . . -104.17 113.79 64.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.471 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 54.0 Cg_endo -69.78 111.8 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.5 p90 -119.86 133.11 55.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -59.29 -48.27 82.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.58 161.98 37.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -41.46 -35.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -47.52 -57.28 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -67.59 -37.08 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.538 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 35.1 t80 -53.85 -29.07 39.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -92.83 -33.72 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.3 m -74.24 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.652 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -32.79 -54.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.652 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -169.2 146.5 10.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.9 p -79.39 79.82 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 62.0 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 121.48 0.489 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 Cg_endo -69.83 111.3 2.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 t -42.26 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . -83.96 40.83 2.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.534 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 35' ' ' PRO . 11.4 m-85 -130.31 -27.16 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.56 161.99 76.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.71 141.31 45.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.11 141.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.84 -47.03 3.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 22' ' ' VAL . 1.1 mp0 -71.17 -12.94 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' GLU . 97.2 t -33.57 121.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -121.07 158.26 53.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.35 86.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -107.85 -178.06 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.485 HG21 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -161.81 141.47 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' ARG . 14.9 t -63.19 114.48 12.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 8.23 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 2.6 mmm180 -112.41 -36.25 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 21.1 p -134.91 26.17 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' CYS . 51.8 m-20 36.23 54.91 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' N ' HG22 ' A' ' 28' ' ' THR . . . -104.95 112.48 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.485 ' N ' HG21 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.78 111.3 2.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.5 p90 -118.75 146.89 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -68.2 -42.56 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -152.03 -179.7 7.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -45.46 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 21.6 ptt180 -40.02 -42.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -81.42 -34.35 31.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.479 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 41.5 t80 -54.87 -24.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -97.07 -34.8 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 45' ' ' HIS . 80.9 m -75.44 -57.02 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -32.98 -51.39 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -168.66 176.92 42.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.542 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -103.3 82.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 121.403 0.446 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.9 Cg_endo -69.76 108.11 2.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.6 t -36.9 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.5 42.19 3.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 46.6 m-85 -131.81 -32.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.98 159.23 7.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 136.44 33.09 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.86 118.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.26 -44.34 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -89.88 44.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.7 t -76.4 114.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -111.6 154.38 43.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . -71.82 89.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.32 -32.83 74.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -101.41 -177.13 3.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -163.17 145.43 10.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ASN . 8.7 t -65.91 115.86 26.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.22 3.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.472 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -107.69 -35.6 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 33' ' ' ASN . 16.0 p -134.29 27.04 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' CYS . 28.7 t-20 33.03 54.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.466 ' N ' HG23 ' A' ' 28' ' ' THR . . . -104.79 114.81 63.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.43 ' N ' HG22 ' A' ' 28' ' ' THR . 54.1 Cg_endo -69.8 114.04 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.7 p90 -119.79 142.3 48.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 p -66.38 -48.36 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 p -144.35 166.83 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.81 -34.68 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -49.73 -64.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.01 -31.32 71.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.573 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.5 t80 -60.32 -28.58 68.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.03 -34.17 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.7 m -71.38 -55.63 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -37.38 -54.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.656 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -153.7 -176.6 26.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.9 t -110.52 17.09 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.5 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 121.458 0.477 . . . . 0.0 112.476 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.7 Cg_endo -69.75 110.2 2.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.743 2.295 . . . . 0.0 112.354 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' PRO . 8.9 t -36.97 99.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.96 39.01 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -128.93 -33.32 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.43 159.45 8.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.76 137.16 34.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.27 124.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.26 -47.62 1.09 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -85.35 42.81 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.9 119.21 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -118.4 152.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 105.9 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.47 97.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -73.03 -23.04 60.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.571 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.5 m-85 -110.26 -174.59 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.445 HG21 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -165.58 136.0 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ASN . 48.8 t -60.18 113.74 8.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 6.49 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 5.3 mmm180 -108.03 -34.53 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.3 p -134.62 14.98 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' CYS . 32.3 m120 46.06 55.0 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 28' ' ' THR . . . -108.51 116.51 56.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.445 ' N ' HG21 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.75 114.85 3.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.8 p90 -120.34 141.88 49.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.02 -47.48 74.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -142.99 175.15 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.56 -37.84 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -50.97 -37.31 43.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.42 -29.69 22.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.59 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 30.5 t80 -62.11 -27.24 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -94.3 -34.59 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' HIS . 69.5 m -70.85 -54.82 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.647 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -36.38 -54.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.647 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.76 166.79 33.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.1 p -97.09 39.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 16.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 121.459 0.477 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 122.52 9.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 t -75.44 81.26 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 17' ' ' CYS . . . -54.73 -37.93 62.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -45.6 -21.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 15' ' ' GLY . 1.6 m -88.09 157.41 51.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.75 134.43 27.99 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.35 129.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 -49.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' GLN . 55.7 mm-40 -83.82 -15.49 48.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 p -44.84 95.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 70.4 mm-40 -77.47 157.97 79.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ALA . 54.0 Cg_endo -69.77 82.95 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -35.19 105.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -29.98 41.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -112.72 -173.79 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -160.91 142.07 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.84 115.17 13.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 6.15 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.2 -35.2 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' ASN . 14.6 p -133.59 27.52 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' CYS . 20.8 m120 31.83 54.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' N ' HG22 ' A' ' 28' ' ' THR . . . -107.31 114.09 61.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.457 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 53.9 Cg_endo -69.75 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 29.1 p90 -124.21 138.4 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 29.0 p -64.27 -46.62 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' LEU . 7.7 t -148.06 156.9 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' SER . 11.4 mt -37.36 -35.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.9 mtm105 -45.72 -52.97 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.9 m -74.48 -26.04 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.544 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.6 t80 -60.67 -31.0 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -89.17 -31.15 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' HIS . 94.5 m -78.15 -59.69 2.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 6.9 p-80 -33.74 -47.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.538 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.92 165.47 38.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.2 p -99.14 41.67 1.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 121.443 0.468 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.63 105.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' CYS . . . -78.89 -43.9 10.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' GLY . 26.3 m-85 -35.84 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -69.32 155.05 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.68 134.34 27.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.17 134.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.045 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.42 -52.04 2.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -80.95 45.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.6 t -74.56 118.6 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -111.41 156.9 40.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.726 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 35' ' ' PRO . . . -75.46 58.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -53.29 -26.65 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 3.7 m-85 -106.61 151.09 25.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -137.01 138.49 40.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.9 t -58.02 113.44 6.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 7.24 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.96 -35.83 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.35 18.0 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 54.5 m-20 42.62 54.99 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' N ' HG21 ' A' ' 28' ' ' THR . . . -105.74 114.57 62.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.476 ' N ' HG23 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.79 111.81 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 53.6 p90 -121.42 144.13 48.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -67.92 -48.35 66.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -145.69 170.17 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.97 -36.12 12.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.0 -41.06 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.9 -33.94 26.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.601 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 50.7 t80 -60.6 -31.13 70.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -88.54 -31.02 18.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -75.72 -59.07 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.665 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.5 p-80 -37.35 -55.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.665 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -159.48 165.13 34.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.4 p -96.53 53.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 111.183 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 121.453 0.474 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 113.0 3.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.52 92.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.09 -38.18 83.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -40.54 -31.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.54 156.14 83.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.76 129.55 17.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.32 130.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -45.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.47 49.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.2 t -77.41 114.57 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -110.21 156.37 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.0 65.37 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -56.69 -29.92 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -99.08 179.56 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -164.13 134.12 4.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 17.4 t -57.14 112.46 4.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 8.21 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 29' ' ' CYS . 12.0 mtp85 -111.54 -34.67 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.0 p -134.01 18.27 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' CYS . 7.7 p30 43.03 55.01 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.406 ' N ' HG23 ' A' ' 28' ' ' THR . . . -106.43 113.28 63.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.118 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' N ' HG22 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.81 110.22 2.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.301 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.5 p90 -119.11 149.59 41.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.77 -48.2 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 p -146.06 167.06 24.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 mt -44.46 -34.01 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.75 -52.67 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.87 -24.77 58.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.476 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.7 t80 -62.22 -24.22 67.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -96.87 -33.44 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -77.33 -55.76 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.4 p-80 -36.34 -49.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.566 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -160.51 178.98 36.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.3 p -108.8 38.15 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 121.426 0.459 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 111.78 2.91 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.57 102.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -75.82 -44.41 19.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 26.0 m-85 -34.53 -38.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -61.88 154.86 65.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 130.7 19.82 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.41 132.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.06 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 -47.2 1.95 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -85.69 43.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -71.74 122.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -116.93 156.45 48.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.699 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 103.68 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.04 67.87 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -59.6 -25.13 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.556 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.0 m-85 -103.43 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -151.22 142.39 23.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ASN . 31.9 t -65.08 116.07 26.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 5.86 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 4.3 mmm180 -109.43 -36.71 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ASN . 19.1 p -134.17 23.85 3.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.6 m-20 37.28 55.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.464 ' N ' HG23 ' A' ' 28' ' ' THR . . . -106.05 114.98 61.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.471 ' N ' HG22 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.77 119.69 6.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.8 p90 -126.37 148.6 49.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.38 -47.78 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -145.33 174.49 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.96 -41.74 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -46.86 -39.58 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.44 -39.93 18.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.583 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 34.2 t80 -55.56 -26.9 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -95.04 -36.63 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' HIS . 87.4 m -69.32 -54.93 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.3 p-80 -36.02 -53.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.634 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -158.61 176.42 35.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -107.4 44.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 8.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 121.447 0.47 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.48 88.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.82 93.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -42.45 -42.45 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.86 156.26 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.3 Cg_endo -69.8 133.21 24.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -32.45 133.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.62 -36.3 3.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -97.35 38.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.3 t -73.65 118.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -114.89 154.12 46.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . -58.76 84.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -54.06 -31.59 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 1.2 m-85 -118.92 -174.45 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.477 HG21 ' N ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -162.39 144.8 11.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.11 115.17 12.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 54.0 Cg_endo -69.79 6.57 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 30' ' ' PRO . 1.1 mpt_? -115.68 -41.81 3.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' ASN . 14.1 p -125.81 25.38 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' CYS . 36.4 m-80 34.9 55.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' N ' HG21 ' A' ' 28' ' ' THR . . . -101.19 110.85 62.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 53.7 Cg_endo -69.74 105.83 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 34.5 p90 -113.41 135.07 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -62.58 -36.7 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.03 177.49 11.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -56.37 -39.34 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 20.9 ptt85 -47.67 -54.01 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.5 m -69.79 -35.26 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.598 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 20.1 t80 -53.32 -26.92 20.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -92.99 -31.18 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.1 m -73.51 -54.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -38.01 -54.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.14 -170.3 20.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -118.49 45.31 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 121.42 0.456 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.71 3.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.5 t -59.1 106.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.77 -40.43 12.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -39.83 -33.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.53 157.38 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 130.54 19.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.81 119.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.36 -45.22 1.35 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -91.99 46.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.08 120.35 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -114.37 155.91 45.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . -74.05 74.12 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.06 -23.35 67.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 7.5 m-85 -108.62 165.12 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.473 HG21 ' N ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -149.17 144.92 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' ASN . 2.1 t -63.61 115.79 21.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -115.11 -37.71 4.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ASN . 16.0 p -129.52 25.85 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' CYS . 10.0 m120 33.57 54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' HG22 ' A' ' 28' ' ' THR . . . -104.06 111.89 65.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.473 ' N ' HG21 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 113.59 3.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 47.0 p90 -122.07 147.06 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -68.42 -48.8 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.97 -176.35 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.8 -38.56 82.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 7.8 ptm180 -47.41 -43.82 24.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -80.06 -39.44 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.535 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.2 t80 -51.92 -25.41 8.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -95.77 -36.85 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' HIS . 89.5 m -70.49 -55.81 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.609 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -35.36 -51.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.609 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.4 179.27 41.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 p -104.77 81.7 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 121.385 0.436 . . . . 0.0 112.533 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 110.9 2.67 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -56.89 92.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -35.93 90.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -44.55 -33.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 156.92 90.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.72 59.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 144.61 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.81 -55.43 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' VAL . 53.6 mm-40 -61.98 -8.89 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' GLU . 88.5 t -35.8 119.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.62 151.93 52.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . -55.65 94.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 -69.06 -29.84 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.81 -174.89 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -165.31 147.33 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 31' ' ' ARG . 2.3 t -64.48 116.83 31.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 8.01 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 29' ' ' CYS . 19.8 mtt-85 -118.61 -43.3 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 33' ' ' ASN . 13.2 p -124.24 26.4 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' CYS . 9.0 p30 33.71 54.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' N ' HG22 ' A' ' 28' ' ' THR . . . -98.84 108.73 50.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.717 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.286 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.1 p90 -109.68 144.16 38.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -67.52 -43.78 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.2 m -148.62 174.19 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.2 -46.04 45.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -39.84 -55.21 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 m -69.98 -45.31 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.522 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 21.1 t80 -46.85 -25.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -96.66 -38.47 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.4 m -69.3 -54.89 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.659 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.4 p-80 -37.01 -55.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.659 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.91 160.5 30.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -93.1 40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 121.448 0.471 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 114.48 3.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.18 102.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.38 41.21 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 35.1 m-85 -130.05 -33.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.76 159.9 6.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.72 133.18 25.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.53 134.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.35 2.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.1 40.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.07 119.64 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -116.12 153.95 48.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 104.81 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -65.15 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -60.84 -28.38 68.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -109.45 179.35 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -160.4 146.25 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -62.74 112.85 7.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.751 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 7.71 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' CYS . 20.8 mtt-85 -116.42 -44.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.1 p -116.55 4.97 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.0 m-80 53.67 54.05 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' N ' HG23 ' A' ' 28' ' ' THR . . . -108.26 115.39 58.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.448 ' N ' HG22 ' A' ' 28' ' ' THR . 54.0 Cg_endo -69.7 110.46 2.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.355 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 24.5 p90 -118.43 139.46 51.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -60.96 -48.27 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -147.75 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.72 -41.56 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -43.46 -65.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 m -61.23 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.582 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 12.0 t80 -47.53 -28.16 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -92.11 -33.39 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' HIS . 98.8 m -72.12 -56.32 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -37.01 -54.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.654 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.92 173.78 33.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.1 m -103.55 44.81 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -61.9 166.63 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -133.33 136.39 45.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 145.22 44.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.432 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -39.27 159.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 p -89.55 114.56 26.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.24 -77.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.6 mtp -120.83 122.41 40.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -100.65 133.72 21.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.2 7.11 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.8 175.94 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -144.36 151.2 23.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 107.14 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.289 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 t -48.62 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.14 -35.11 15.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 19.7 m-85 -45.15 -31.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.64 157.03 40.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.668 0.746 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.2 Cg_endo -69.83 136.82 33.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.33 126.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.67 -47.57 1.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.17 46.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.5 t -79.2 118.83 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -116.62 152.11 47.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 98.61 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -63.01 89.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -69.44 -23.27 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.515 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.6 m-85 -109.65 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -157.33 143.87 18.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.118 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 2.8 t -62.86 114.79 13.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.12 2.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -115.11 -33.77 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 33' ' ' ASN . 13.0 p -131.26 21.41 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 7.3 t-20 35.75 54.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 28' ' ' THR . . . -107.08 115.27 60.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 111.104 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.473 ' N ' HG22 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.74 116.38 4.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 46.7 p90 -123.91 135.37 53.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -60.04 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.56 179.58 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.414 HD21 ' CD2' ' A' ' 42' ' ' TYR . 0.5 OUTLIER -53.84 -39.2 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -44.35 -63.47 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.9 -44.78 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.576 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 47.2 t80 -43.97 -27.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.35 -33.81 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.6 m -71.54 -53.19 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -42.77 -53.82 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.642 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -161.81 164.72 35.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 p -98.31 39.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.4 m -65.56 -36.48 83.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.461 ' HB1' ' CE2' ' A' ' 42' ' ' TYR . . . -47.86 -36.98 12.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.24 -57.29 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -97.16 53.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -134.27 -54.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -38.41 -46.74 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 t 59.32 41.76 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.28 156.77 15.62 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 0.85 5.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.3 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.1 m -74.11 -55.26 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.9 t -37.9 146.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.48 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -117.1 156.91 26.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -124.61 136.67 54.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.43 87.63 1.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -93.95 175.43 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -172.41 166.37 5.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.86 131.36 2.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.0 ttp -57.57 -48.35 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -93.98 148.42 35.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.652 0.739 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 109.67 2.35 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.02 167.41 29.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.46 156.54 21.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 111.12 2.71 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -42.23 99.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.85 44.42 3.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -133.38 -34.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.71 157.8 18.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.73 132.01 22.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.03 115.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.01 -44.36 1.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -93.65 43.24 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.76 125.13 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -121.04 154.95 58.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.22 73.23 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -60.46 -23.88 64.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.52 166.59 10.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -152.96 148.0 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.0 119.46 52.16 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 5.48 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.554 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 3.8 mtm180 -120.78 -48.74 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 33' ' ' ASN . 11.5 p -112.65 22.2 14.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 32' ' ' CYS . 12.2 t-20 32.67 54.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' N ' HG22 ' A' ' 28' ' ' THR . . . -103.11 113.56 65.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.739 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.301 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 40.8 p90 -120.99 136.34 55.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.12 -48.38 78.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -143.17 175.41 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.99 -38.19 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 18.1 ptp180 -45.58 -54.69 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 16.2 m -69.8 -39.27 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.551 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 23.9 t80 -52.23 -28.27 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -91.03 -33.96 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' HIS . 93.1 m -74.15 -58.91 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -34.71 -48.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.557 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -163.35 -173.73 32.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 p -114.49 43.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.156 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m -83.3 36.86 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 50' ' ' GLU . . . -121.33 -32.1 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' ALA . 15.5 tt0 -34.11 -39.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -98.1 -36.21 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.554 ' CE1' ' HD3' ' A' ' 31' ' ' ARG . 4.2 m-85 -82.41 82.06 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 50' ' ' GLU . 10.4 m-85 -113.31 -56.64 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -78.69 132.01 36.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.75 87.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 119.0 6.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.303 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.7 m -150.54 -178.74 6.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -96.66 169.1 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.501 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -137.56 153.61 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.401 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 m -154.81 164.03 39.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.73 86.31 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.43 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -46.09 -51.65 13.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -41.5 144.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.87 68.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.2 mtm -86.54 155.62 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -163.73 137.59 4.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.16 18.85 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 26' ' ' ARG . . . -83.77 172.14 12.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -137.37 158.48 24.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.5 Cg_endo -69.78 110.3 2.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.234 . . . . 0.0 112.314 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' PRO . 10.2 t -36.49 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.03 35.68 3.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 27.5 m-85 -125.16 -34.3 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.57 157.13 19.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.74 136.52 33.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -30.17 134.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.33 -44.62 2.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -86.86 40.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -77.42 121.33 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -118.25 154.58 51.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.84 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.86 87.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.414 ' HA ' ' CB ' ' A' ' 11' ' ' ALA . 38.6 mtt-85 -65.26 -35.24 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -98.42 177.28 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -162.56 145.74 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.142 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 31' ' ' ARG . 1.9 t -60.63 115.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.94 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 29' ' ' CYS . 9.2 mtt-85 -119.18 -40.0 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' ASN . 9.4 p -124.32 23.38 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.7 m120 33.95 54.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' N ' HG22 ' A' ' 28' ' ' THR . . . -105.39 112.81 64.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' N ' HG21 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 121.93 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 31.9 p90 -129.86 130.75 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -56.91 -47.71 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 m -143.77 173.95 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -51.17 -44.88 61.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.78 -37.93 2.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.19 -35.8 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.522 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 28.5 t80 -56.87 -24.3 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -96.74 -36.43 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' HIS . 84.2 m -70.83 -55.4 8.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -35.35 -47.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -162.94 169.47 38.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -100.33 40.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 10.4 m -71.85 -33.82 68.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HA ' ' CD1' ' A' ' 52' ' ' PHE . . . -75.91 60.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -122.17 -40.01 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 52' ' ' PHE . 35.5 m120 -110.56 -37.12 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 2.0 p90 -35.72 -42.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -58.04 145.42 36.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.95 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.5 m -122.81 168.92 11.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.4 -81.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 2.85 3.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -100.71 110.96 23.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.8 t -85.98 -51.5 6.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -62.05 127.19 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 t -87.05 93.69 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.25 50.65 4.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -82.25 106.11 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -171.73 167.97 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.76 -70.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.4 tpt -72.82 119.74 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -109.49 130.99 22.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 173.75 10.57 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.37 -177.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.43 158.12 20.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.78 3.82 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -41.73 97.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.5 39.89 2.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -128.96 -33.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.95 156.8 23.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.78 136.92 34.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.401 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.59 125.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.19 -42.45 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -91.61 41.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 118.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -118.14 153.23 51.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.15 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB2' ' N ' ' A' ' 36' ' ' TYR . . . -72.05 78.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.6 mmt-85 -58.53 -17.54 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.555 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 9.2 m-85 -122.57 -177.74 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -163.3 149.22 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.096 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 31' ' ' ARG . 3.5 t -67.92 115.93 33.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 7.47 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 29' ' ' CYS . 15.1 mtp180 -118.0 -38.11 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 33' ' ' ASN . 11.6 p -129.71 28.25 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.3 m-20 31.91 54.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 28' ' ' THR . . . -102.41 109.64 60.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.441 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 54.1 Cg_endo -69.74 109.0 2.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 41.1 p90 -115.73 140.0 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -63.83 -42.41 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -151.77 167.9 26.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' N ' HD21 ' A' ' 39' ' ' LEU . 4.6 mm? -44.87 -31.93 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -51.97 -65.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 m -62.22 -31.29 71.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.587 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 17.8 t80 -57.33 -28.83 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -91.76 -32.79 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -72.72 -55.84 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.651 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.2 p-80 -37.67 -54.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.651 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -154.74 172.47 33.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -100.74 15.3 28.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 m -44.77 -27.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.27 35.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -99.21 -17.59 18.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -128.59 -40.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 36.9 t80 -53.45 104.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 52.2 m-85 -166.2 175.29 8.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -101.07 129.07 46.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.92 85.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.29 47.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.9 p -117.55 -44.0 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 p -55.12 137.39 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.486 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -103.88 118.37 36.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -92.56 110.1 21.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.24 -106.61 0.83 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -65.77 168.59 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -103.14 -56.38 2.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.76 177.48 37.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptm -102.36 41.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.707 0.289 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -130.18 157.42 77.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 83.38 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.79 136.09 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -111.45 152.78 17.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 106.78 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -49.76 102.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.81 -41.28 28.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 15.0 m-85 -39.7 -37.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.59 157.05 80.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.76 52.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.397 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 144.7 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.27 -55.71 4.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' VAL . 55.4 mm-40 -58.72 -11.02 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLU . 94.7 t -37.52 120.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -120.43 154.69 56.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.03 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -60.87 94.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -69.32 -35.15 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.3 m-85 -95.46 -178.84 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -167.65 145.35 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.98 116.27 17.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.98 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.719 2.28 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -117.87 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 33' ' ' ASN . 10.7 p -126.82 26.7 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.4 m120 31.21 55.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' N ' HG22 ' A' ' 28' ' ' THR . . . -103.11 111.91 65.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.605 0.717 . . . . 0.0 111.064 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 122.83 9.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 22.3 p90 -132.0 127.73 36.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -54.84 -41.44 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -148.8 169.87 19.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' ARG . 1.9 tp -49.58 -45.15 47.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -37.29 -51.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.3 m -73.18 -36.53 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.563 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 39.2 t80 -50.49 -30.81 13.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 mtt-85 -90.64 -35.66 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -69.91 -56.99 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.2 p-80 -38.01 -49.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.574 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -165.47 169.58 39.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.8 p -102.85 41.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.2 m -70.8 -42.09 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.11 -45.4 61.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.25 -52.99 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -93.62 37.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 36.7 t80 -125.4 171.87 10.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 43.8 p90 43.02 40.73 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 t -76.74 162.88 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.64 -160.8 31.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.25 3.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 t -59.77 143.49 50.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -56.72 163.05 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.808 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.507 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -133.99 104.58 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -111.94 165.66 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.52 131.04 6.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -106.0 97.55 7.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -52.6 -44.93 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.39 -65.01 0.43 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 161.63 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -82.3 158.57 66.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.679 0.752 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.42 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.36 -175.81 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -149.63 164.89 29.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.531 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.93 6.8 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.31 103.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.2 33.87 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' ' O ' ' A' ' 35' ' ' PRO . 4.4 m-85 -128.02 -10.24 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.98 158.96 31.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ALA . 52.9 Cg_endo -69.87 143.16 49.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.227 . . . . 0.0 112.356 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -35.89 149.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 -53.66 3.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -76.88 -19.18 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 p -44.98 97.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 48.0 mt-30 -79.83 155.18 75.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 101.2 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -55.18 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.53 -19.11 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.6 m-85 -121.3 -178.77 3.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -156.52 130.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -45.52 114.0 2.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 8.94 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 29' ' ' CYS . 13.8 mmt180 -117.87 -45.92 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 p -116.0 3.63 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 29' ' ' CYS . 15.4 m-80 55.37 54.11 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 28' ' ' THR . . . -106.33 114.71 61.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.061 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.423 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 53.6 Cg_endo -69.79 101.39 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 50.3 p90 -106.01 153.94 21.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 20.2 p -78.07 -41.09 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 m -153.45 173.27 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.59 -45.51 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -40.32 -62.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.71 -46.1 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.533 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.4 t80 -42.66 -26.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -97.49 -37.21 10.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 45' ' ' HIS . 57.8 m -70.47 -54.87 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 5.0 p-80 -33.21 -42.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -178.08 173.57 46.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -100.22 84.99 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.39 -43.68 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.66 -37.46 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -46.21 -45.1 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -108.72 40.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -113.09 -52.98 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -77.7 169.51 18.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 t -122.14 117.8 27.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.19 -111.85 1.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -175.36 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 m -82.11 167.93 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.5 t -133.29 108.5 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.467 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 p -171.89 177.85 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -110.27 117.55 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.22 146.6 1.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m -86.47 119.17 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 t -147.14 108.74 4.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.74 158.73 20.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.47 -21.47 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -114.4 145.26 33.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.743 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 116.3 4.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.99 169.57 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -142.67 162.91 27.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 122.03 8.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.7 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.3 35.24 2.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -125.87 -21.09 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.03 162.99 55.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.56 56.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.12 102.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.18 -38.17 2.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -107.72 36.75 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 2.3 p -89.29 66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -50.26 155.06 1.82 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 101.28 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -56.06 93.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -66.4 -33.07 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -104.89 -174.35 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.477 HG21 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -161.72 146.46 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.8 118.75 41.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.18 -47.45 3.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' ASN . 14.5 p -119.37 26.94 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' CYS . 17.1 m-20 31.82 54.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' N ' HG21 ' A' ' 28' ' ' THR . . . -103.89 114.01 64.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 53.6 Cg_endo -69.73 111.43 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.509 ' CG ' ' HB2' ' A' ' 42' ' ' TYR . 39.0 p90 -114.89 140.91 48.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -68.0 -46.88 70.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' LEU . 12.9 t -146.41 154.07 41.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' SER . 1.0 OUTLIER -35.25 -35.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.2 ptp180 -49.99 -54.0 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -72.16 -33.02 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.596 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 56.6 t80 -55.61 -27.93 52.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -93.89 -35.9 12.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' HIS . 75.7 m -69.86 -55.61 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 4.9 p-80 -34.17 -54.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.58 174.37 42.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.443 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.1 p -101.92 85.39 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.178 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m -117.29 -25.01 7.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.12 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.71 -50.12 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -92.1 33.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 3.9 t80 -124.72 80.62 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -137.42 126.54 24.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 t -113.91 42.27 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.51 -174.7 16.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -6.38 18.47 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.348 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 t -155.0 149.16 25.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -134.61 84.49 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.501 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m -127.33 143.18 51.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 p -125.39 171.92 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.49 64.5 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -159.42 120.33 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -81.49 -50.65 9.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.77 67.58 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 ttt -96.3 159.24 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.736 0.303 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -100.43 155.75 36.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.695 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.64 4.19 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.63 -176.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -147.63 155.79 26.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 110.98 2.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.1 t -49.35 104.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.9 -28.32 42.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -51.67 -29.21 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.51 156.98 68.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.78 137.17 34.75 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.58 127.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -46.11 1.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -86.36 42.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -77.12 119.52 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.76 154.73 52.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . -65.64 91.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -69.89 -23.68 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.8 m-85 -108.87 177.3 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -161.14 138.83 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.144 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.0 t -60.93 115.95 16.42 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 6.76 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -113.28 -35.18 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 p -134.99 28.14 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.4 m120 32.66 54.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 28' ' ' THR . . . -102.57 109.57 61.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.098 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.454 ' N ' HG22 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.81 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.2 p90 -119.91 146.19 46.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -66.3 -48.61 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.12 -175.0 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.4 -40.48 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.93 -38.38 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.4 m -87.04 -21.48 26.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.495 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 25.2 t80 -69.01 -22.99 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -97.93 -31.11 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' HIS . 74.0 m -76.82 -55.77 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.646 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.1 p-80 -33.93 -55.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.646 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -166.71 163.1 36.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.4 p -94.13 80.03 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m -114.07 -21.14 10.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.26 37.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -112.81 -26.45 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -133.45 33.03 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -113.02 -51.52 2.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -60.78 156.38 17.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -82.24 114.82 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.59 -175.25 15.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -179.82 3.17 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.6 m -107.94 45.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 p -95.02 -5.81 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.484 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -73.39 -49.25 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 4' ' ' GLY . 18.5 t -123.38 167.13 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.7 145.63 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -81.3 41.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -143.06 125.13 15.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.47 -63.28 3.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 mtt -73.12 109.23 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -97.71 127.9 35.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 82.0 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.27 170.3 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -136.74 163.36 25.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.14 2.48 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.242 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.7 t -56.54 108.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.58 11.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -40.33 -36.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.17 155.93 42.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.75 138.93 39.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.74 126.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.57 -44.04 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -85.05 43.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.374 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.24 117.41 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -113.17 157.14 41.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.14 2.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 35' ' ' PRO . . . -72.0 68.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -54.92 -28.23 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.575 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 8.3 m-85 -109.17 177.52 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -159.74 144.39 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ASN . 2.0 t -63.81 114.12 12.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 4.56 2.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.88 -34.05 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' ASN . 12.0 p -133.89 26.1 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 22.4 m120 33.67 54.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' N ' HG23 ' A' ' 28' ' ' THR . . . -104.17 113.79 64.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.471 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 54.0 Cg_endo -69.78 111.8 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.5 p90 -119.86 133.11 55.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -59.29 -48.27 82.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.58 161.98 37.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -41.46 -35.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -47.52 -57.28 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -67.59 -37.08 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.538 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 35.1 t80 -53.85 -29.07 39.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -92.83 -33.72 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.3 m -74.24 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.652 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -32.79 -54.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.652 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -169.2 146.5 10.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.9 p -79.39 79.82 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 62.0 m -103.84 -38.09 7.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -42.26 -44.15 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 51' ' ' ASN . 16.7 pt-20 -50.39 -45.42 55.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' PHE . 64.2 m-20 -74.06 -47.28 37.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' ASN . 8.7 t80 -34.48 -63.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -88.11 170.66 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 55' ' ' GLY . 69.8 m -127.96 -44.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 34.3 -117.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 99.75 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.357 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -74.31 123.41 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -74.21 -45.83 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.492 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -93.38 127.25 38.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.833 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -110.83 -44.58 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.8 124.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -73.69 158.58 34.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -54.72 163.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.38 151.77 26.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.535 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.7 mtt 62.2 37.2 14.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -45.38 152.16 0.67 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.611 0.72 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.41 -176.12 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -134.63 155.02 21.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 Cg_endo -69.83 111.3 2.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 t -42.26 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . -83.96 40.83 2.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.534 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 35' ' ' PRO . 11.4 m-85 -130.31 -27.16 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.56 161.99 76.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.71 141.31 45.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.11 141.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.84 -47.03 3.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 22' ' ' VAL . 1.1 mp0 -71.17 -12.94 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' GLU . 97.2 t -33.57 121.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -121.07 158.26 53.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.35 86.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -107.85 -178.06 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.485 HG21 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -161.81 141.47 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' ARG . 14.9 t -63.19 114.48 12.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 8.23 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 2.6 mmm180 -112.41 -36.25 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 21.1 p -134.91 26.17 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' CYS . 51.8 m-20 36.23 54.91 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' N ' HG22 ' A' ' 28' ' ' THR . . . -104.95 112.48 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.485 ' N ' HG21 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.78 111.3 2.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.5 p90 -118.75 146.89 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -68.2 -42.56 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -152.03 -179.7 7.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -45.46 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 21.6 ptt180 -40.02 -42.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -81.42 -34.35 31.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 41.5 t80 -54.87 -24.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -97.07 -34.8 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 45' ' ' HIS . 80.9 m -75.44 -57.02 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -32.98 -51.39 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -168.66 176.92 42.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.542 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -103.3 82.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.3 m -124.96 29.25 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.02 -38.65 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -43.75 -45.82 7.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.85 -45.99 16.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -81.48 99.51 8.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -129.89 128.0 41.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -115.28 77.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.76 -164.48 12.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.78 4.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 p -72.95 -25.83 61.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -174.61 150.28 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.485 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -150.09 135.5 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.393 . . . . 0.0 110.82 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -165.61 175.69 8.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.99 -109.19 2.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -134.64 111.45 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -70.71 -41.65 71.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.54 159.39 16.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.5 ttm -109.54 -59.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.716 0.294 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -48.94 150.18 2.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 88.22 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.9 170.37 16.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -135.23 156.86 22.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.9 Cg_endo -69.76 108.11 2.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.6 t -36.9 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.5 42.19 3.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 46.6 m-85 -131.81 -32.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.98 159.23 7.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 136.44 33.09 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.86 118.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.26 -44.34 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -89.88 44.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.7 t -76.4 114.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -111.6 154.38 43.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . -71.82 89.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.32 -32.83 74.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -101.41 -177.13 3.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -163.17 145.43 10.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ASN . 8.7 t -65.91 115.86 26.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.22 3.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -107.69 -35.6 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 33' ' ' ASN . 16.0 p -134.29 27.04 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' CYS . 28.7 t-20 33.03 54.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.466 ' N ' HG23 ' A' ' 28' ' ' THR . . . -104.79 114.81 63.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.43 ' N ' HG22 ' A' ' 28' ' ' THR . 54.1 Cg_endo -69.8 114.04 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.7 p90 -119.79 142.3 48.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 p -66.38 -48.36 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 p -144.35 166.83 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.81 -34.68 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -49.73 -64.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.01 -31.32 71.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.573 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.5 t80 -60.32 -28.58 68.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.03 -34.17 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.7 m -71.38 -55.63 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -37.38 -54.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.656 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -153.7 -176.6 26.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.9 t -110.52 17.09 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.5 m -52.9 -28.59 23.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.571 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -66.74 -61.86 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' ALA . 13.5 mm-40 -36.54 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.484 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 11.4 p-10 -130.4 53.54 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -82.16 13.67 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CE1' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -113.19 80.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.0 p -91.7 155.0 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.36 -123.54 7.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 160.74 48.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.3 t -90.21 95.87 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.0 p -94.26 91.82 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.5 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -170.17 139.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -166.08 157.28 13.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.64 136.2 2.26 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -96.01 154.59 17.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -79.81 159.5 26.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.17 -134.85 12.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtp -50.59 131.09 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.0 122.27 35.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 130.43 19.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.67 174.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -138.5 162.69 25.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.7 Cg_endo -69.75 110.2 2.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.743 2.295 . . . . 0.0 112.354 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' PRO . 8.9 t -36.97 99.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.96 39.01 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -128.93 -33.32 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.43 159.45 8.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.76 137.16 34.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.27 124.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.26 -47.62 1.09 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -85.35 42.81 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.9 119.21 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -118.4 152.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 105.9 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.47 97.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -73.03 -23.04 60.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.571 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.5 m-85 -110.26 -174.59 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.445 HG21 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -165.58 136.0 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ASN . 48.8 t -60.18 113.74 8.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 6.49 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 5.3 mmm180 -108.03 -34.53 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.3 p -134.62 14.98 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' CYS . 32.3 m120 46.06 55.0 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 28' ' ' THR . . . -108.51 116.51 56.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.445 ' N ' HG21 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.75 114.85 3.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.8 p90 -120.34 141.88 49.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.02 -47.48 74.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -142.99 175.15 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.56 -37.84 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -50.97 -37.31 43.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.42 -29.69 22.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.59 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 30.5 t80 -62.11 -27.24 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -94.3 -34.59 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' HIS . 69.5 m -70.85 -54.82 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.647 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -36.38 -54.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.647 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.76 166.79 33.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.1 p -97.09 39.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 16.6 m -70.89 -34.57 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.96 -53.63 56.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -39.2 -41.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 2.4 t30 -80.02 -53.88 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -42.29 -62.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -93.02 146.71 23.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 m -97.9 107.06 19.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.28 178.66 49.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -7.36 20.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.289 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 t -51.38 113.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.0 p -128.62 -46.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.466 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 p -84.37 165.94 17.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -166.58 133.97 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.1 46.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -94.21 43.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -116.29 90.02 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.16 -86.66 0.31 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 9' ' ' GLU . 2.1 tpt -157.83 155.39 29.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.732 0.301 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' MET . 22.6 tt0 -33.5 134.99 0.32 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.59 68.66 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 162.16 11.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -138.39 162.36 25.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.455 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 122.52 9.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 t -75.44 81.26 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 17' ' ' CYS . . . -54.73 -37.93 62.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -45.6 -21.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 15' ' ' GLY . 1.6 m -88.09 157.41 51.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.75 134.43 27.99 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.35 129.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 -49.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' GLN . 55.7 mm-40 -83.82 -15.49 48.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 p -44.84 95.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 70.4 mm-40 -77.47 157.97 79.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ALA . 54.0 Cg_endo -69.77 82.95 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -35.19 105.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -29.98 41.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -112.72 -173.79 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -160.91 142.07 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.84 115.17 13.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 6.15 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.2 -35.2 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' ASN . 14.6 p -133.59 27.52 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' CYS . 20.8 m120 31.83 54.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' N ' HG22 ' A' ' 28' ' ' THR . . . -107.31 114.09 61.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.457 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 53.9 Cg_endo -69.75 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 29.1 p90 -124.21 138.4 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 29.0 p -64.27 -46.62 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' LEU . 7.7 t -148.06 156.9 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' SER . 11.4 mt -37.36 -35.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.9 mtm105 -45.72 -52.97 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.9 m -74.48 -26.04 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.544 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.6 t80 -60.67 -31.0 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -89.17 -31.15 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' HIS . 94.5 m -78.15 -59.69 2.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 6.9 p-80 -33.74 -47.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.538 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.92 165.47 38.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.2 p -99.14 41.67 1.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 m -71.37 -25.81 62.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.48 39.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -105.67 -37.42 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' PHE . 7.2 t30 -107.41 -34.4 7.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' ASN . 10.2 t80 -35.84 -53.56 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -84.22 151.42 24.83 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -44.82 128.86 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.87 88.84 0.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -49.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.9 t -52.82 118.72 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 p -107.25 134.41 50.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.465 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -122.09 128.33 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 m -140.17 128.31 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.76 45.11 1.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -58.46 149.11 26.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -112.17 123.84 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.99 -107.54 3.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 mmt -97.3 165.1 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -103.85 138.68 19.6 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.671 0.748 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 179.37 3.74 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.01 160.93 31.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.92 153.32 16.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.63 105.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' CYS . . . -78.89 -43.9 10.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' GLY . 26.3 m-85 -35.84 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -69.32 155.05 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.68 134.34 27.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.17 134.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.045 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.42 -52.04 2.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -80.95 45.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.6 t -74.56 118.6 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -111.41 156.9 40.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.726 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 35' ' ' PRO . . . -75.46 58.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -53.29 -26.65 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 3.7 m-85 -106.61 151.09 25.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -137.01 138.49 40.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.9 t -58.02 113.44 6.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 7.24 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.96 -35.83 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.35 18.0 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 54.5 m-20 42.62 54.99 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' N ' HG21 ' A' ' 28' ' ' THR . . . -105.74 114.57 62.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.476 ' N ' HG23 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.79 111.81 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 53.6 p90 -121.42 144.13 48.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -67.92 -48.35 66.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -145.69 170.17 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.97 -36.12 12.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.0 -41.06 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.9 -33.94 26.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.601 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 50.7 t80 -60.6 -31.13 70.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -88.54 -31.02 18.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -75.72 -59.07 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.665 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.5 p-80 -37.35 -55.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.665 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -159.48 165.13 34.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.4 p -96.53 53.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 111.183 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m -89.92 33.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.71 -43.03 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -54.35 -43.19 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.07 -57.9 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -72.89 87.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' SER . 11.2 m-85 -86.87 -52.17 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' TYR . 88.3 p 37.55 44.8 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.28 -167.08 17.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.55 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -4.3 13.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.639 2.226 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -70.67 103.65 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 p -67.83 -57.79 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -161.02 140.36 10.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -111.48 143.31 42.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.27 97.24 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -81.84 98.97 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -123.61 92.5 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.92 92.0 0.1 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 mtp -75.8 -61.0 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -121.13 156.64 56.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.672 0.749 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 87.56 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.67 141.53 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.92 165.73 20.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 113.0 3.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.52 92.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.09 -38.18 83.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -40.54 -31.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.54 156.14 83.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.76 129.55 17.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.32 130.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -45.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.47 49.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.2 t -77.41 114.57 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -110.21 156.37 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.0 65.37 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -56.69 -29.92 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -99.08 179.56 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -164.13 134.12 4.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 17.4 t -57.14 112.46 4.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 8.21 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 29' ' ' CYS . 12.0 mtp85 -111.54 -34.67 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.0 p -134.01 18.27 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' CYS . 7.7 p30 43.03 55.01 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.406 ' N ' HG23 ' A' ' 28' ' ' THR . . . -106.43 113.28 63.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.118 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' N ' HG22 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.81 110.22 2.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.301 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.5 p90 -119.11 149.59 41.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.77 -48.2 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 p -146.06 167.06 24.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 mt -44.46 -34.01 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.75 -52.67 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.87 -24.77 58.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 49' ' ' ALA . 53.7 t80 -62.22 -24.22 67.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -96.87 -33.44 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -77.33 -55.76 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.4 p-80 -36.34 -49.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.566 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -160.51 178.98 36.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.3 p -108.8 38.15 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m -76.52 -33.46 58.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.545 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . . . -47.44 -41.23 19.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.84 29.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -129.68 -37.3 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 54' ' ' SER . 3.9 t80 -96.02 118.49 32.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -98.82 110.44 23.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 92.4 p -92.6 151.64 20.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.4 95.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 146.1 58.88 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 m -133.64 136.6 44.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.1 t -90.15 131.48 35.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.794 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.484 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.2 p -154.53 139.92 17.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 m -151.25 142.27 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.62 -68.09 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -59.62 157.4 11.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -86.75 39.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.82 102.4 0.8 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -98.55 39.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.473 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 32.3 tt0 -40.96 139.59 1.19 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.672 0.749 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.4 Cg_endo -69.76 158.46 56.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.283 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.59 163.42 25.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.92 156.23 15.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 111.78 2.91 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.57 102.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -75.82 -44.41 19.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 26.0 m-85 -34.53 -38.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -61.88 154.86 65.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 130.7 19.82 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.41 132.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.06 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 -47.2 1.95 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -85.69 43.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -71.74 122.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -116.93 156.45 48.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.699 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 103.68 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.04 67.87 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -59.6 -25.13 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.556 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.0 m-85 -103.43 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -151.22 142.39 23.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ASN . 31.9 t -65.08 116.07 26.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 5.86 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 4.3 mmm180 -109.43 -36.71 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ASN . 19.1 p -134.17 23.85 3.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.6 m-20 37.28 55.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.464 ' N ' HG23 ' A' ' 28' ' ' THR . . . -106.05 114.98 61.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.471 ' N ' HG22 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.77 119.69 6.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.8 p90 -126.37 148.6 49.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.38 -47.78 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -145.33 174.49 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.96 -41.74 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -46.86 -39.58 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.44 -39.93 18.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.583 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 34.2 t80 -55.56 -26.9 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -95.04 -36.63 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' HIS . 87.4 m -69.32 -54.93 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.3 p-80 -36.02 -53.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.634 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -158.61 176.42 35.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -107.4 44.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 8.9 m -75.96 -39.96 54.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLU . . . -52.14 -42.59 63.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ALA . 4.3 tt0 -34.34 -60.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -40.18 82.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -42.25 -51.86 4.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -116.65 173.13 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 m 47.37 41.02 11.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.28 152.75 22.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 86.65 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -122.83 126.39 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.1 m 66.49 42.14 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.521 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -144.89 126.39 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -55.77 160.72 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.67 -166.28 12.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -96.33 91.36 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -53.61 160.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.806 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.34 46.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.445 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 2.6 ptt? -108.99 -43.88 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.7 0.286 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 8' ' ' MET . 26.4 mt-10 -157.86 143.8 12.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 80.1 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.641 2.227 . . . . 0.0 112.345 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -175.07 174.85 2.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -133.84 158.53 23.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.48 88.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.82 93.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -42.45 -42.45 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.86 156.26 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.3 Cg_endo -69.8 133.21 24.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -32.45 133.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.62 -36.3 3.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -97.35 38.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.3 t -73.65 118.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -114.89 154.12 46.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . -58.76 84.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -54.06 -31.59 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 1.2 m-85 -118.92 -174.45 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.477 HG21 ' N ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -162.39 144.8 11.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.11 115.17 12.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 54.0 Cg_endo -69.79 6.57 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 52' ' ' PHE . 1.1 mpt_? -115.68 -41.81 3.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' ASN . 14.1 p -125.81 25.38 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' CYS . 36.4 m-80 34.9 55.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' N ' HG21 ' A' ' 28' ' ' THR . . . -101.19 110.85 62.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 53.7 Cg_endo -69.74 105.83 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 34.5 p90 -113.41 135.07 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -62.58 -36.7 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.03 177.49 11.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -56.37 -39.34 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 20.9 ptt85 -47.67 -54.01 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.5 m -69.79 -35.26 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.598 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 20.1 t80 -53.32 -26.92 20.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -92.99 -31.18 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.1 m -73.51 -54.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -38.01 -54.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.14 -170.3 20.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -118.49 45.31 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m -86.25 35.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.7 -34.2 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -50.31 -34.34 23.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -132.38 73.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.635 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -128.84 -38.99 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.5 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 36.1 p90 -88.13 170.67 10.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -124.76 88.41 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -57.18 -164.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 95.97 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -104.47 -58.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 m -81.11 85.77 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.484 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 77.9 p 35.94 43.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -150.57 117.85 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.89 -133.19 4.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -59.84 -56.51 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t 58.88 43.15 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.71 65.87 1.41 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 mtt -133.85 142.92 48.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -132.47 143.86 50.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.65 59.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.58 174.62 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -129.99 149.7 18.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.71 3.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.5 t -59.1 106.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.77 -40.43 12.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -39.83 -33.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.53 157.38 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 130.54 19.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.81 119.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.36 -45.22 1.35 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -91.99 46.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.08 120.35 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -114.37 155.91 45.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . -74.05 74.12 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.06 -23.35 67.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 7.5 m-85 -108.62 165.12 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.473 HG21 ' N ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -149.17 144.92 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' ASN . 2.1 t -63.61 115.79 21.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -115.11 -37.71 4.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ASN . 16.0 p -129.52 25.85 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' CYS . 10.0 m120 33.57 54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' HG22 ' A' ' 28' ' ' THR . . . -104.06 111.89 65.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.473 ' N ' HG21 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 113.59 3.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 47.0 p90 -122.07 147.06 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -68.42 -48.8 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.97 -176.35 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.8 -38.56 82.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 7.8 ptm180 -47.41 -43.82 24.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -80.06 -39.44 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.2 t80 -51.92 -25.41 8.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -95.77 -36.85 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' HIS . 89.5 m -70.49 -55.81 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.609 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -35.36 -51.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.609 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.4 179.27 41.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 p -104.77 81.7 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m -123.05 30.05 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.71 -39.18 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.43 -34.35 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -120.54 43.38 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -113.25 -53.11 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' SER . 1.9 p90 -85.78 96.69 9.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' TYR . 75.0 p 34.08 49.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.82 116.77 4.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -173.39 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.5 m -84.78 46.1 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -102.49 131.85 48.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -161.29 127.59 3.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 m -43.05 159.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.95 -67.37 2.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t 71.14 42.05 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -154.01 124.54 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.77 -110.26 0.8 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 mmt -104.87 144.79 31.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -85.48 140.35 36.1 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.666 0.746 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 175.5 8.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -123.06 163.97 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -136.22 159.32 24.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 110.9 2.67 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -56.89 92.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -35.93 90.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -44.55 -33.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 156.92 90.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.72 59.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 144.61 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.81 -55.43 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' VAL . 53.6 mm-40 -61.98 -8.89 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' GLU . 88.5 t -35.8 119.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.62 151.93 52.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . -55.65 94.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 -69.06 -29.84 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.81 -174.89 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -165.31 147.33 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 31' ' ' ARG . 2.3 t -64.48 116.83 31.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 8.01 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 29' ' ' CYS . 19.8 mtt-85 -118.61 -43.3 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 33' ' ' ASN . 13.2 p -124.24 26.4 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' CYS . 9.0 p30 33.71 54.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' N ' HG22 ' A' ' 28' ' ' THR . . . -98.84 108.73 50.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.717 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.286 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.1 p90 -109.68 144.16 38.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -67.52 -43.78 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.2 m -148.62 174.19 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.2 -46.04 45.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -39.84 -55.21 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 m -69.98 -45.31 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.522 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 21.1 t80 -46.85 -25.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -96.66 -38.47 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.4 m -69.3 -54.89 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.659 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.4 p-80 -37.01 -55.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.659 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.91 160.5 30.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -93.1 40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 m -71.67 -35.17 70.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.481 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -62.37 -42.06 99.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -52.95 -41.37 64.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -106.04 37.55 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -114.74 -51.36 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.481 ' CE1' ' O ' ' A' ' 49' ' ' ALA . 24.9 p90 -83.26 115.62 22.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.9 t -51.99 150.6 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.82 -118.16 3.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 88.54 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.5 t -70.1 -51.92 27.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 t 54.25 42.44 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.508 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -154.08 117.1 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -123.53 104.12 8.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.18 46.31 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -92.62 81.51 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -158.72 177.98 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.76 -69.47 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtt -120.85 86.21 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -39.8 137.45 1.13 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 126.43 13.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.377 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.97 179.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -135.47 157.39 23.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 114.48 3.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.18 102.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.38 41.21 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 35.1 m-85 -130.05 -33.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.76 159.9 6.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.72 133.18 25.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.53 134.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.35 2.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.1 40.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.07 119.64 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -116.12 153.95 48.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 104.81 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -65.15 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -60.84 -28.38 68.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -109.45 179.35 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -160.4 146.25 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -62.74 112.85 7.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.751 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 7.71 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' CYS . 20.8 mtt-85 -116.42 -44.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.1 p -116.55 4.97 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.0 m-80 53.67 54.05 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' N ' HG23 ' A' ' 28' ' ' THR . . . -108.26 115.39 58.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.448 ' N ' HG22 ' A' ' 28' ' ' THR . 54.0 Cg_endo -69.7 110.46 2.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.355 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 24.5 p90 -118.43 139.46 51.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -60.96 -48.27 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -147.75 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.72 -41.56 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -43.46 -65.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 m -61.23 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.582 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 12.0 t80 -47.53 -28.16 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -92.11 -33.39 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' HIS . 98.8 m -72.12 -56.32 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -37.01 -54.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.654 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.92 173.78 33.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.43 ' CG2' ' HG2' ' A' ' 50' ' ' GLU . 16.1 m -103.55 44.81 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.17 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m -78.45 -14.9 59.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.55 36.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' HG2' ' CG2' ' A' ' 47' ' ' THR . 20.7 mm-40 -81.54 -42.0 20.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -114.98 -35.78 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -61.83 101.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -133.62 154.8 50.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 p -96.62 80.04 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.1 69.01 1.41 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 152.96 69.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -106.37 145.47 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -90.73 129.7 36.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.462 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.615 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 121.457 0.476 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 107.14 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.289 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 t -48.62 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.14 -35.11 15.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 19.7 m-85 -45.15 -31.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.64 157.03 40.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.668 0.746 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.2 Cg_endo -69.83 136.82 33.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.33 126.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.67 -47.57 1.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.17 46.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.5 t -79.2 118.83 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -116.62 152.11 47.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 98.61 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -63.01 89.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -69.44 -23.27 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.526 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.6 m-85 -109.65 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -157.33 143.87 18.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.118 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 2.8 t -62.86 114.79 13.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.12 2.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -115.11 -33.77 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 13.0 p -131.26 21.41 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 7.3 t-20 35.75 54.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -107.08 115.27 60.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 111.104 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.547 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.74 116.38 4.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 46.7 p90 -123.91 135.37 53.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -60.04 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.56 179.58 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -53.84 -39.2 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -44.35 -63.47 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.9 -44.78 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.576 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 47.2 t80 -43.97 -27.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.35 -33.81 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.6 m -71.54 -53.19 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -42.77 -53.82 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.642 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -161.81 164.72 35.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 p -98.31 39.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.658 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 121.43 0.461 . . . . 0.0 112.496 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 111.12 2.71 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -42.23 99.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.85 44.42 3.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 39.5 m-85 -133.38 -34.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.71 157.8 18.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.73 132.01 22.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.03 115.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.01 -44.36 1.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -93.65 43.24 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.76 125.13 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -121.04 154.95 58.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -76.22 73.23 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -60.46 -23.88 64.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.52 166.59 10.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -152.96 148.0 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.0 119.46 52.16 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 5.48 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -120.78 -48.74 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 11.5 p -112.65 22.2 14.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.2 t30 32.67 54.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -103.11 113.56 65.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.739 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.598 ' N ' HG23 ' A' ' 28' ' ' THR . 53.3 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.301 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 40.8 p90 -120.99 136.34 55.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.12 -48.38 78.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -143.17 175.41 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.99 -38.19 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 18.1 ptp180 -45.58 -54.69 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 16.2 m -69.8 -39.27 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.551 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 23.9 t80 -52.23 -28.27 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -91.03 -33.96 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' HIS . 93.1 m -74.15 -58.91 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -34.71 -48.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.557 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -163.35 -173.73 32.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 p -114.49 43.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.156 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.766 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 121.454 0.475 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.5 Cg_endo -69.78 110.3 2.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.234 . . . . 0.0 112.314 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' PRO . 10.2 t -36.49 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.03 35.68 3.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 27.5 m-85 -125.16 -34.3 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.57 157.13 19.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.74 136.52 33.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -30.17 134.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.33 -44.62 2.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -86.86 40.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -77.42 121.33 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -118.25 154.58 51.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.84 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -67.86 87.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 mtt-85 -65.26 -35.24 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -98.42 177.28 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.639 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.7 OUTLIER -162.56 145.74 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.142 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.63 115.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.94 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -119.18 -40.0 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.577 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 9.4 p -124.32 23.38 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.7 m120 33.95 54.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.577 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -105.39 112.81 64.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.639 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 121.93 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 31.9 p90 -129.86 130.75 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -56.91 -47.71 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 m -143.77 173.95 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -51.17 -44.88 61.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.78 -37.93 2.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.19 -35.8 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.538 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 28.5 t80 -56.87 -24.3 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -96.74 -36.43 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' HIS . 84.2 m -70.83 -55.4 8.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -35.35 -47.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -162.94 169.47 38.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -100.33 40.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.644 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 121.431 0.461 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.78 3.82 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -41.73 97.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.5 39.89 2.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.692 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 22.2 m-85 -128.96 -33.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.95 156.8 23.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.78 136.92 34.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.401 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.59 125.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.19 -42.45 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -91.61 41.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 118.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -118.14 153.23 51.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.15 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -72.05 78.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.6 mmt-85 -58.53 -17.54 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 9.2 m-85 -122.57 -177.74 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -163.3 149.22 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.096 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t -67.92 115.93 33.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 7.47 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -118.0 -38.11 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 11.6 p -129.71 28.25 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.3 m-20 31.91 54.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.692 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -102.41 109.64 60.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.616 ' N ' HG23 ' A' ' 28' ' ' THR . 54.1 Cg_endo -69.74 109.0 2.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 41.1 p90 -115.73 140.0 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -63.83 -42.41 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -151.77 167.9 26.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -44.87 -31.93 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -51.97 -65.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 m -62.22 -31.29 71.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.587 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 17.8 t80 -57.33 -28.83 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -91.76 -32.79 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -72.72 -55.84 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.651 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.2 p-80 -37.67 -54.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.651 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -154.74 172.47 33.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -100.74 15.3 28.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.751 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 121.453 0.474 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 106.78 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 42.6 t -49.76 102.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.81 -41.28 28.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 15.0 m-85 -39.7 -37.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.59 157.05 80.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.76 52.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.397 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 144.7 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.27 -55.71 4.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' VAL . 55.4 mm-40 -58.72 -11.02 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLU . 94.7 t -37.52 120.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' OE1' ' HD2' ' A' ' 24' ' ' PRO . 10.1 mm-40 -120.43 154.69 56.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD2' ' OE1' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.78 91.03 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -60.87 94.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -69.32 -35.15 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.3 m-85 -95.46 -178.84 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -167.65 145.35 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.4 t -60.98 116.27 17.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.98 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.719 2.28 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -117.87 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 10.7 p -126.82 26.7 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.4 m120 31.21 55.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -103.11 111.91 65.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.605 0.717 . . . . 0.0 111.064 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.587 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.83 122.83 9.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 22.3 p90 -132.0 127.73 36.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -54.84 -41.44 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -148.8 169.87 19.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' ARG . 1.9 tp -49.58 -45.15 47.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -37.29 -51.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.3 m -73.18 -36.53 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.563 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 39.2 t80 -50.49 -30.81 13.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 mtt-85 -90.64 -35.66 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -69.91 -56.99 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.2 p-80 -38.01 -49.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.574 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -165.47 169.58 39.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.8 p -102.85 41.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 121.398 0.443 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.93 6.8 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 t -48.31 103.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.2 33.87 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.501 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 4.4 m-85 -128.02 -10.24 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.98 158.96 31.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ALA . 52.9 Cg_endo -69.87 143.16 49.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.227 . . . . 0.0 112.356 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -35.89 149.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 -53.66 3.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.543 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -76.88 -19.18 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 14' ' ' CYS . 5.3 p -44.98 97.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 48.0 mt-30 -79.83 155.18 75.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 101.2 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 35' ' ' PRO . . . -55.18 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.53 -19.11 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.6 m-85 -121.3 -178.77 3.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -156.52 130.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -45.52 114.0 2.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 8.94 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -117.87 -45.92 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 15.5 p -116.0 3.63 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.524 ' C ' HG22 ' A' ' 28' ' ' THR . 15.4 m-80 55.37 54.11 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -106.33 114.71 61.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.061 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.577 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.79 101.39 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 50.3 p90 -106.01 153.94 21.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 20.2 p -78.07 -41.09 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 m -153.45 173.27 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -47.59 -45.51 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -40.32 -62.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.71 -46.1 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.533 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.4 t80 -42.66 -26.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -97.49 -37.21 10.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 45' ' ' HIS . 57.8 m -70.47 -54.87 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 5.0 p-80 -33.21 -42.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -178.08 173.57 46.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -100.22 84.99 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 121.397 0.443 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 122.03 8.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -54.7 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.3 35.24 2.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.532 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 36.0 m-85 -125.87 -21.09 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.03 162.99 55.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.56 56.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.12 102.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.18 -38.17 2.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -107.72 36.75 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 14' ' ' CYS . 2.3 p -89.29 66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -50.26 155.06 1.82 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 101.28 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 35' ' ' PRO . . . -56.06 93.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -66.4 -33.07 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -104.89 -174.35 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -161.72 146.46 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.415 ' HG ' ' HE1' ' A' ' 42' ' ' TYR . 1.8 t -61.8 118.75 41.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.18 -47.45 3.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 14.5 p -119.37 26.94 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' CYS . 17.1 m-20 31.82 54.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -103.89 114.01 64.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.597 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.73 111.43 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 39.0 p90 -114.89 140.91 48.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -68.0 -46.88 70.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' LEU . 12.9 t -146.41 154.07 41.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -35.25 -35.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.2 ptp180 -49.99 -54.0 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.8 m -72.16 -33.02 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.596 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 56.6 t80 -55.61 -27.93 52.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -93.89 -35.9 12.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' HIS . 75.7 m -69.86 -55.61 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 4.9 p-80 -34.17 -54.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.58 174.37 42.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.443 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.1 p -101.92 85.39 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.178 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.751 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 121.417 0.454 . . . . 0.0 112.539 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 110.98 2.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.1 t -49.35 104.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.9 -28.32 42.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.711 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 12.6 m-85 -51.67 -29.21 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.51 156.98 68.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.78 137.17 34.75 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.58 127.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -46.11 1.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -86.36 42.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -77.12 119.52 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.76 154.73 52.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -65.64 91.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -69.89 -23.68 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.579 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.8 m-85 -108.87 177.3 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -161.14 138.83 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.144 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 34' ' ' ALA . 13.0 t -60.93 115.95 16.42 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 6.76 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -113.28 -35.18 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 p -134.99 28.14 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.4 m120 32.66 54.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.711 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -102.57 109.57 61.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.098 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.6 ' N ' HG23 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.81 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.2 p90 -119.91 146.19 46.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -66.3 -48.61 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.12 -175.0 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.4 -40.48 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.93 -38.38 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.4 m -87.04 -21.48 26.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.495 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 25.2 t80 -69.01 -22.99 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -97.93 -31.11 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' HIS . 74.0 m -76.82 -55.77 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.646 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.1 p-80 -33.93 -55.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.646 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -166.71 163.1 36.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.4 p -94.13 80.03 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 121.406 0.448 . . . . 0.0 112.511 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.14 2.48 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.242 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.7 t -56.54 108.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.58 11.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.53 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 11.3 m-85 -40.33 -36.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.17 155.93 42.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.75 138.93 39.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.74 126.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.57 -44.04 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -85.05 43.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.374 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.24 117.41 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -113.17 157.14 41.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.14 2.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -72.0 68.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -54.92 -28.23 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 8.3 m-85 -109.17 177.52 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -159.74 144.39 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.0 t -63.81 114.12 12.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 4.56 2.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.88 -34.05 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 12.0 p -133.89 26.1 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 22.4 m120 33.67 54.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -104.17 113.79 64.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.498 ' N ' HG23 ' A' ' 28' ' ' THR . 54.0 Cg_endo -69.78 111.8 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.5 p90 -119.86 133.11 55.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -59.29 -48.27 82.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.58 161.98 37.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -41.46 -35.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -47.52 -57.28 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -67.59 -37.08 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.555 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 35.1 t80 -53.85 -29.07 39.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -92.83 -33.72 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.3 m -74.24 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.652 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -32.79 -54.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.652 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -169.2 146.5 10.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.9 p -79.39 79.82 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 62.0 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.741 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 121.48 0.489 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 Cg_endo -69.83 111.3 2.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 t -42.26 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . -83.96 40.83 2.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.534 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 35' ' ' PRO . 11.4 m-85 -130.31 -27.16 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.56 161.99 76.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.71 141.31 45.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.11 141.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.84 -47.03 3.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 22' ' ' VAL . 1.1 mp0 -71.17 -12.94 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' GLU . 97.2 t -33.57 121.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -121.07 158.26 53.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -66.35 86.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -107.85 -178.06 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -161.81 141.47 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 34' ' ' ALA . 14.9 t -63.19 114.48 12.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 8.23 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.492 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 2.6 mmm180 -112.41 -36.25 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 21.1 p -134.91 26.17 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' CYS . 51.8 m-20 36.23 54.91 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' HG22 ' A' ' 28' ' ' THR . . . -104.95 112.48 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.576 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.78 111.3 2.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.5 p90 -118.75 146.89 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -68.2 -42.56 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -152.03 -179.7 7.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -54.99 -45.46 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 21.6 ptt180 -40.02 -42.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -81.42 -34.35 31.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.479 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 41.5 t80 -54.87 -24.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -97.07 -34.8 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 45' ' ' HIS . 80.9 m -75.44 -57.02 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -32.98 -51.39 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -168.66 176.92 42.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.542 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -103.3 82.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.492 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.779 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 121.403 0.446 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.9 Cg_endo -69.76 108.11 2.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.6 t -36.9 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.5 42.19 3.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 46.6 m-85 -131.81 -32.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.98 159.23 7.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 136.44 33.09 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.86 118.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.26 -44.34 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -89.88 44.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.7 t -76.4 114.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -111.6 154.38 43.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.779 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -71.82 89.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.32 -32.83 74.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.58 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -101.41 -177.13 3.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -163.17 145.43 10.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ASN . 8.7 t -65.91 115.86 26.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.22 3.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -107.69 -35.6 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.0 p -134.29 27.04 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' CYS . 28.7 t-20 33.03 54.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -104.79 114.81 63.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.629 ' N ' HG23 ' A' ' 28' ' ' THR . 54.1 Cg_endo -69.8 114.04 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.7 p90 -119.79 142.3 48.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 p -66.38 -48.36 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 p -144.35 166.83 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.81 -34.68 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -49.73 -64.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.01 -31.32 71.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.573 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.5 t80 -60.32 -28.58 68.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.03 -34.17 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.7 m -71.38 -55.63 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -37.38 -54.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.656 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -153.7 -176.6 26.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.9 t -110.52 17.09 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.487 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.5 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 121.458 0.477 . . . . 0.0 112.476 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.7 Cg_endo -69.75 110.2 2.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.743 2.295 . . . . 0.0 112.354 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' PRO . 8.9 t -36.97 99.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.96 39.01 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 28.1 m-85 -128.93 -33.32 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.43 159.45 8.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.76 137.16 34.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.27 124.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.26 -47.62 1.09 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -85.35 42.81 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.9 119.21 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -118.4 152.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 105.9 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -67.47 97.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -73.03 -23.04 60.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.5 m-85 -110.26 -174.59 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.55 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -165.58 136.0 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ASN . 48.8 t -60.18 113.74 8.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 6.49 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.471 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 5.3 mmm180 -108.03 -34.53 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 17.3 p -134.62 14.98 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' CYS . 32.3 m120 46.06 55.0 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.575 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -108.51 116.51 56.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.55 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.75 114.85 3.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.8 p90 -120.34 141.88 49.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.02 -47.48 74.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -142.99 175.15 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.56 -37.84 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -50.97 -37.31 43.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.42 -29.69 22.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.59 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 30.5 t80 -62.11 -27.24 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -94.3 -34.59 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' HIS . 69.5 m -70.85 -54.82 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.647 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -36.38 -54.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.647 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.76 166.79 33.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.1 p -97.09 39.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 16.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.546 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 121.459 0.477 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 122.52 9.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.564 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.9 t -75.44 81.26 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 17' ' ' CYS . . . -54.73 -37.93 62.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -45.6 -21.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 15' ' ' GLY . 1.6 m -88.09 157.41 51.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.75 134.43 27.99 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.35 129.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 -49.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' GLN . 55.7 mm-40 -83.82 -15.49 48.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 14' ' ' CYS . 3.0 p -44.84 95.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.428 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 70.4 mm-40 -77.47 157.97 79.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ALA . 54.0 Cg_endo -69.77 82.95 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -35.19 105.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -29.98 41.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -112.72 -173.79 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.59 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -160.91 142.07 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.84 115.17 13.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 6.15 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.2 -35.2 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' ASN . 14.6 p -133.59 27.52 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' CYS . 20.8 m120 31.83 54.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -107.31 114.09 61.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.59 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.75 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 29.1 p90 -124.21 138.4 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 29.0 p -64.27 -46.62 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' LEU . 7.7 t -148.06 156.9 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' SER . 11.4 mt -37.36 -35.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.9 mtm105 -45.72 -52.97 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.9 m -74.48 -26.04 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.544 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.6 t80 -60.67 -31.0 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -89.17 -31.15 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' HIS . 94.5 m -78.15 -59.69 2.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 6.9 p-80 -33.74 -47.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.538 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.92 165.47 38.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.2 p -99.14 41.67 1.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 121.443 0.468 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.63 105.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' CYS . . . -78.89 -43.9 10.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' GLY . 26.3 m-85 -35.84 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -69.32 155.05 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.68 134.34 27.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.17 134.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.045 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.42 -52.04 2.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -80.95 45.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.6 t -74.56 118.6 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -111.41 156.9 40.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.726 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -75.46 58.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -53.29 -26.65 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 3.7 m-85 -106.61 151.09 25.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -137.01 138.49 40.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.9 t -58.02 113.44 6.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 29' ' ' CYS . 53.4 Cg_endo -69.76 7.24 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.96 -35.83 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.35 18.0 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 54.5 m-20 42.62 54.99 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' HG22 ' A' ' 28' ' ' THR . . . -105.74 114.57 62.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.548 ' N ' HG23 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.79 111.81 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 53.6 p90 -121.42 144.13 48.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -67.92 -48.35 66.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -145.69 170.17 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.97 -36.12 12.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.0 -41.06 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.9 -33.94 26.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.601 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 50.7 t80 -60.6 -31.13 70.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -88.54 -31.02 18.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -75.72 -59.07 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.665 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.5 p-80 -37.35 -55.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.665 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -159.48 165.13 34.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.4 p -96.53 53.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 111.183 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 121.453 0.474 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 113.0 3.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 42.3 t -64.52 92.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.09 -38.18 83.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -40.54 -31.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.54 156.14 83.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.76 129.55 17.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.32 130.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -45.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.47 49.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.2 t -77.41 114.57 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -110.21 156.37 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -79.0 65.37 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -56.69 -29.92 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -99.08 179.56 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.568 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -164.13 134.12 4.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 17.4 t -57.14 112.46 4.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 8.21 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -111.54 -34.67 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.0 p -134.01 18.27 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.3 p-10 43.03 55.01 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.43 113.28 63.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.568 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.81 110.22 2.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.301 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.5 p90 -119.11 149.59 41.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.77 -48.2 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 p -146.06 167.06 24.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 mt -44.46 -34.01 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.75 -52.67 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.87 -24.77 58.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.476 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.7 t80 -62.22 -24.22 67.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -96.87 -33.44 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -77.33 -55.76 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.4 p-80 -36.34 -49.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.566 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -160.51 178.98 36.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.3 p -108.8 38.15 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 121.426 0.459 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 111.78 2.91 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 44.8 t -63.57 102.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -75.82 -44.41 19.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.607 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 26.0 m-85 -34.53 -38.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -61.88 154.86 65.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 130.7 19.82 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.41 132.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.06 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 -47.2 1.95 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -85.69 43.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -71.74 122.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -116.93 156.45 48.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.699 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 103.68 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . . . -76.04 67.87 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -59.6 -25.13 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.0 m-85 -103.43 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.561 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -151.22 142.39 23.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ASN . 31.9 t -65.08 116.07 26.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 5.86 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.502 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 4.3 mmm180 -109.43 -36.71 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 19.1 p -134.17 23.85 3.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.6 m-20 37.28 55.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.607 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -106.05 114.98 61.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.561 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.77 119.69 6.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.8 p90 -126.37 148.6 49.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.38 -47.78 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -145.33 174.49 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.96 -41.74 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -46.86 -39.58 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.44 -39.93 18.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.583 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 34.2 t80 -55.56 -26.9 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -95.04 -36.63 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' HIS . 87.4 m -69.32 -54.93 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.3 p-80 -36.02 -53.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.634 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -158.61 176.42 35.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -107.4 44.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.502 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 8.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.681 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 121.447 0.47 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.48 88.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.82 93.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.672 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 5.2 m-85 -42.45 -42.45 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.86 156.26 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.3 Cg_endo -69.8 133.21 24.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -32.45 133.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.62 -36.3 3.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -97.35 38.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.3 t -73.65 118.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -114.89 154.12 46.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -58.76 84.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -54.06 -31.59 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 1.2 m-85 -118.92 -174.45 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.652 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -162.39 144.8 11.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.0 t -60.11 115.17 12.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 54.0 Cg_endo -69.79 6.57 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CZ ' ' HG2' ' A' ' 30' ' ' PRO . 1.1 mpt_? -115.68 -41.81 3.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 14.1 p -125.81 25.38 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' CYS . 36.4 m-80 34.9 55.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.672 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -101.19 110.85 62.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.652 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 105.83 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 34.5 p90 -113.41 135.07 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -62.58 -36.7 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.03 177.49 11.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -56.37 -39.34 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 20.9 ptt85 -47.67 -54.01 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.5 m -69.79 -35.26 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.598 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 20.1 t80 -53.32 -26.92 20.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -92.99 -31.18 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.1 m -73.51 -54.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -38.01 -54.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.14 -170.3 20.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -118.49 45.31 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.759 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 121.42 0.456 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.71 3.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 40.5 t -59.1 106.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.77 -40.43 12.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 14.1 m-85 -39.83 -33.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.53 157.38 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 130.54 19.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.81 119.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.36 -45.22 1.35 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -91.99 46.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.08 120.35 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -114.37 155.91 45.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -74.05 74.12 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.06 -23.35 67.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 7.5 m-85 -108.62 165.12 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -149.17 144.92 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.1 t -63.61 115.79 21.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -115.11 -37.71 4.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.0 p -129.52 25.85 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' CYS . 10.0 m120 33.57 54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -104.06 111.89 65.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.579 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 113.59 3.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 47.0 p90 -122.07 147.06 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -68.42 -48.8 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.97 -176.35 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.8 -38.56 82.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 7.8 ptm180 -47.41 -43.82 24.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -80.06 -39.44 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.535 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.2 t80 -51.92 -25.41 8.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -95.77 -36.85 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' HIS . 89.5 m -70.49 -55.81 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.609 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -35.36 -51.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.609 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.4 179.27 41.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 p -104.77 81.7 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.693 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 121.385 0.436 . . . . 0.0 112.533 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 110.9 2.67 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -56.89 92.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -35.93 90.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 5.1 m-85 -44.55 -33.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 156.92 90.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.72 59.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 144.61 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.81 -55.43 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' VAL . 53.6 mm-40 -61.98 -8.89 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' GLU . 88.5 t -35.8 119.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.62 151.93 52.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -55.65 94.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 -69.06 -29.84 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.579 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.81 -174.89 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -165.31 147.33 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.3 t -64.48 116.83 31.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 8.01 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -118.61 -43.3 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 13.2 p -124.24 26.4 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER 33.71 54.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.604 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -98.84 108.73 50.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.717 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.597 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.72 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.286 . . . . 0.0 112.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.1 p90 -109.68 144.16 38.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -67.52 -43.78 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.2 m -148.62 174.19 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.2 -46.04 45.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -39.84 -55.21 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 m -69.98 -45.31 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.534 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 21.1 t80 -46.85 -25.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -96.66 -38.47 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.4 m -69.3 -54.89 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.659 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.4 p-80 -37.01 -55.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.659 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.91 160.5 30.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -93.1 40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.773 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 121.448 0.471 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 114.48 3.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.18 102.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.38 41.21 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 35.1 m-85 -130.05 -33.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.76 159.9 6.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.72 133.18 25.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.53 134.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.35 2.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.1 40.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.07 119.64 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -116.12 153.95 48.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 104.81 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -65.15 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -60.84 -28.38 68.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -109.45 179.35 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.664 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -160.4 146.25 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -62.74 112.85 7.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.751 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 7.71 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -116.42 -44.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.1 p -116.55 4.97 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.0 m-80 53.67 54.05 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' C ' HG23 ' A' ' 28' ' ' THR . . . -108.26 115.39 58.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.664 ' N ' HG23 ' A' ' 28' ' ' THR . 54.0 Cg_endo -69.7 110.46 2.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.355 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 24.5 p90 -118.43 139.46 51.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -60.96 -48.27 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -147.75 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.72 -41.56 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -43.46 -65.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 m -61.23 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.582 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 12.0 t80 -47.53 -28.16 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -92.11 -33.39 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' HIS . 98.8 m -72.12 -56.32 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -37.01 -54.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.654 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.92 173.78 33.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.493 ' O ' HG22 ' A' ' 47' ' ' THR . 16.1 m -103.55 44.81 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.17 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -61.9 166.63 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -133.33 136.39 45.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 145.22 44.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.432 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -39.27 159.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 p -89.55 114.56 26.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.24 -77.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.6 mtp -120.83 122.41 40.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -100.65 133.72 21.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.2 7.11 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.8 175.94 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.615 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -144.36 151.2 23.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 107.14 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.289 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 t -48.62 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.14 -35.11 15.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 19.7 m-85 -45.15 -31.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.64 157.03 40.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.668 0.746 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.2 Cg_endo -69.83 136.82 33.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.33 126.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.67 -47.57 1.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.17 46.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.5 t -79.2 118.83 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -116.62 152.11 47.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 98.61 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -63.01 89.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -69.44 -23.27 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.526 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.6 m-85 -109.65 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -157.33 143.87 18.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.118 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 2.8 t -62.86 114.79 13.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.12 2.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -115.11 -33.77 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 13.0 p -131.26 21.41 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 7.3 t-20 35.75 54.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -107.08 115.27 60.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 111.104 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.547 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.74 116.38 4.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 46.7 p90 -123.91 135.37 53.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -60.04 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.56 179.58 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -53.84 -39.2 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -44.35 -63.47 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.9 -44.78 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.576 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 47.2 t80 -43.97 -27.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.35 -33.81 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.6 m -71.54 -53.19 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -42.77 -53.82 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.642 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -161.81 164.72 35.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 p -98.31 39.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.4 m -65.56 -36.48 83.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . . . -47.86 -36.98 12.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.24 -57.29 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -97.16 53.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -134.27 -54.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -38.41 -46.74 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 t 59.32 41.76 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.28 156.77 15.62 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 0.85 5.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.3 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.1 m -74.11 -55.26 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.9 t -37.9 146.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.48 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -117.1 156.91 26.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -124.61 136.67 54.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.43 87.63 1.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -93.95 175.43 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -172.41 166.37 5.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.86 131.36 2.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.0 ttp -57.57 -48.35 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -93.98 148.42 35.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.652 0.739 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 109.67 2.35 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.02 167.41 29.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.658 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -129.46 156.54 21.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 111.12 2.71 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -42.23 99.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.85 44.42 3.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 39.5 m-85 -133.38 -34.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.71 157.8 18.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.73 132.01 22.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.03 115.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.01 -44.36 1.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -93.65 43.24 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.76 125.13 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -121.04 154.95 58.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -76.22 73.23 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -60.46 -23.88 64.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.52 166.59 10.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -152.96 148.0 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.0 119.46 52.16 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 5.48 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 3.8 mtm180 -120.78 -48.74 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 11.5 p -112.65 22.2 14.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.2 t30 32.67 54.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -103.11 113.56 65.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.739 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.598 ' N ' HG23 ' A' ' 28' ' ' THR . 53.3 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.301 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 40.8 p90 -120.99 136.34 55.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.12 -48.38 78.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -143.17 175.41 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.99 -38.19 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 18.1 ptp180 -45.58 -54.69 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 16.2 m -69.8 -39.27 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.551 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 23.9 t80 -52.23 -28.27 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -91.03 -33.96 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' HIS . 93.1 m -74.15 -58.91 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -34.71 -48.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.557 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -163.35 -173.73 32.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 p -114.49 43.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.156 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m -83.3 36.86 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 50' ' ' GLU . . . -121.33 -32.1 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' ALA . 15.5 tt0 -34.11 -39.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -98.1 -36.21 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 31' ' ' ARG . 4.2 m-85 -82.41 82.06 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 50' ' ' GLU . 10.4 m-85 -113.31 -56.64 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -78.69 132.01 36.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.75 87.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 119.0 6.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.303 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.7 m -150.54 -178.74 6.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -96.66 169.1 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.501 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -137.56 153.61 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.401 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 m -154.81 164.03 39.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.73 86.31 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.43 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -46.09 -51.65 13.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -41.5 144.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.87 68.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.2 mtm -86.54 155.62 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -163.73 137.59 4.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.16 18.85 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -83.77 172.14 12.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.766 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -137.37 158.48 24.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.5 Cg_endo -69.78 110.3 2.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.234 . . . . 0.0 112.314 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' PRO . 10.2 t -36.49 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.03 35.68 3.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 27.5 m-85 -125.16 -34.3 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.57 157.13 19.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.74 136.52 33.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -30.17 134.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.33 -44.62 2.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -86.86 40.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -77.42 121.33 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -118.25 154.58 51.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.84 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -67.86 87.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HA ' ' CB ' ' A' ' 11' ' ' ALA . 38.6 mtt-85 -65.26 -35.24 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -98.42 177.28 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.639 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.7 OUTLIER -162.56 145.74 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.142 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.63 115.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.94 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -119.18 -40.0 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.577 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 9.4 p -124.32 23.38 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.7 m120 33.95 54.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.577 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -105.39 112.81 64.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.639 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 121.93 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 31.9 p90 -129.86 130.75 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -56.91 -47.71 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 m -143.77 173.95 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -51.17 -44.88 61.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.78 -37.93 2.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.19 -35.8 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.538 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 28.5 t80 -56.87 -24.3 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -96.74 -36.43 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' HIS . 84.2 m -70.83 -55.4 8.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -35.35 -47.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -162.94 169.47 38.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -100.33 40.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 10.4 m -71.85 -33.82 68.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.576 ' HA ' ' CD1' ' A' ' 52' ' ' PHE . . . -75.91 60.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -122.17 -40.01 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 52' ' ' PHE . 35.5 m120 -110.56 -37.12 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 2.0 p90 -35.72 -42.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -58.04 145.42 36.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.95 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.5 m -122.81 168.92 11.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.4 -81.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 2.85 3.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -100.71 110.96 23.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.8 t -85.98 -51.5 6.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -62.05 127.19 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 t -87.05 93.69 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.25 50.65 4.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -82.25 106.11 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -171.73 167.97 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.76 -70.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.4 tpt -72.82 119.74 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -109.49 130.99 22.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 173.75 10.57 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -67.37 -177.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.644 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -126.43 158.12 20.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.78 3.82 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -41.73 97.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.5 39.89 2.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.692 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 22.2 m-85 -128.96 -33.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.95 156.8 23.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.78 136.92 34.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.401 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.59 125.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.19 -42.45 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -91.61 41.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 118.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -118.14 153.23 51.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.15 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -72.05 78.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.6 mmt-85 -58.53 -17.54 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 9.2 m-85 -122.57 -177.74 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -163.3 149.22 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.096 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t -67.92 115.93 33.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 7.47 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -118.0 -38.11 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 11.6 p -129.71 28.25 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.3 m-20 31.91 54.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.692 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -102.41 109.64 60.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.616 ' N ' HG23 ' A' ' 28' ' ' THR . 54.1 Cg_endo -69.74 109.0 2.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 41.1 p90 -115.73 140.0 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -63.83 -42.41 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -151.77 167.9 26.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -44.87 -31.93 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -51.97 -65.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 m -62.22 -31.29 71.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.587 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 17.8 t80 -57.33 -28.83 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -91.76 -32.79 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -72.72 -55.84 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.651 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.2 p-80 -37.67 -54.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.651 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -154.74 172.47 33.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -100.74 15.3 28.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 m -44.77 -27.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HB2' ' OH ' ' A' ' 42' ' ' TYR . . . -83.27 35.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -99.21 -17.59 18.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -128.59 -40.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 36.9 t80 -53.45 104.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 52.2 m-85 -166.2 175.29 8.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -101.07 129.07 46.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.92 85.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.29 47.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.9 p -117.55 -44.0 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 p -55.12 137.39 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.486 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -103.88 118.37 36.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -92.56 110.1 21.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.24 -106.61 0.83 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -65.77 168.59 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -103.14 -56.38 2.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.76 177.48 37.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptm -102.36 41.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.707 0.289 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -130.18 157.42 77.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 83.38 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.79 136.09 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.751 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -111.45 152.78 17.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 106.78 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 42.6 t -49.76 102.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.81 -41.28 28.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 15.0 m-85 -39.7 -37.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.59 157.05 80.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.76 52.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.397 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 144.7 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.27 -55.71 4.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' VAL . 55.4 mm-40 -58.72 -11.02 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLU . 94.7 t -37.52 120.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' OE1' ' HD2' ' A' ' 24' ' ' PRO . 10.1 mm-40 -120.43 154.69 56.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD2' ' OE1' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.78 91.03 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -60.87 94.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -69.32 -35.15 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.3 m-85 -95.46 -178.84 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -167.65 145.35 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.4 t -60.98 116.27 17.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.98 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.719 2.28 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -117.87 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 10.7 p -126.82 26.7 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.4 m120 31.21 55.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -103.11 111.91 65.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.605 0.717 . . . . 0.0 111.064 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.587 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.83 122.83 9.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 22.3 p90 -132.0 127.73 36.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -54.84 -41.44 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -148.8 169.87 19.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' ARG . 1.9 tp -49.58 -45.15 47.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -37.29 -51.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.3 m -73.18 -36.53 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 49' ' ' ALA . 39.2 t80 -50.49 -30.81 13.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 mtt-85 -90.64 -35.66 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -69.91 -56.99 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.2 p-80 -38.01 -49.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.574 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -165.47 169.58 39.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.8 p -102.85 41.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.2 m -70.8 -42.09 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . . . -51.11 -45.4 61.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.25 -52.99 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -93.62 37.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 36.7 t80 -125.4 171.87 10.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 43.8 p90 43.02 40.73 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 t -76.74 162.88 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.64 -160.8 31.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.25 3.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 t -59.77 143.49 50.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -56.72 163.05 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.808 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.507 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -133.99 104.58 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -111.94 165.66 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.52 131.04 6.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -106.0 97.55 7.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -52.6 -44.93 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.39 -65.01 0.43 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 161.63 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -82.3 158.57 66.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.679 0.752 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.42 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -101.36 -175.81 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -149.63 164.89 29.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.531 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.93 6.8 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 t -48.31 103.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.2 33.87 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.501 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 4.4 m-85 -128.02 -10.24 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.98 158.96 31.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ALA . 52.9 Cg_endo -69.87 143.16 49.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.227 . . . . 0.0 112.356 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -35.89 149.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 -53.66 3.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.543 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -76.88 -19.18 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 14' ' ' CYS . 5.3 p -44.98 97.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 48.0 mt-30 -79.83 155.18 75.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 101.2 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.529 ' O ' ' HB1' ' A' ' 11' ' ' ALA . . . -55.18 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.53 -19.11 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.6 m-85 -121.3 -178.77 3.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -156.52 130.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -45.52 114.0 2.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 8.94 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -117.87 -45.92 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 15.5 p -116.0 3.63 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.524 ' C ' HG22 ' A' ' 28' ' ' THR . 15.4 m-80 55.37 54.11 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -106.33 114.71 61.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.061 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.577 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.79 101.39 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 50.3 p90 -106.01 153.94 21.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 20.2 p -78.07 -41.09 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 m -153.45 173.27 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -47.59 -45.51 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -40.32 -62.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.71 -46.1 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.533 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.4 t80 -42.66 -26.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -97.49 -37.21 10.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 45' ' ' HIS . 57.8 m -70.47 -54.87 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 5.0 p-80 -33.21 -42.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -178.08 173.57 46.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -100.22 84.99 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.39 -43.68 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.66 -37.46 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -46.21 -45.1 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -108.72 40.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -113.09 -52.98 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -77.7 169.51 18.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 t -122.14 117.8 27.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.19 -111.85 1.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -175.36 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 m -82.11 167.93 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.5 t -133.29 108.5 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.467 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 p -171.89 177.85 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -110.27 117.55 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.22 146.6 1.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m -86.47 119.17 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 t -147.14 108.74 4.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.74 158.73 20.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.47 -21.47 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -114.4 145.26 33.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.743 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 116.3 4.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.99 169.57 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -142.67 162.91 27.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 122.03 8.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -54.7 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.3 35.24 2.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.532 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 36.0 m-85 -125.87 -21.09 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.03 162.99 55.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.56 56.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.12 102.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.18 -38.17 2.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -107.72 36.75 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 14' ' ' CYS . 2.3 p -89.29 66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -50.26 155.06 1.82 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 101.28 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 35' ' ' PRO . . . -56.06 93.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -66.4 -33.07 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -104.89 -174.35 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -161.72 146.46 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.8 118.75 41.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.18 -47.45 3.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 14.5 p -119.37 26.94 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' CYS . 17.1 m-20 31.82 54.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -103.89 114.01 64.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.597 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.73 111.43 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 39.0 p90 -114.89 140.91 48.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -68.0 -46.88 70.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' LEU . 12.9 t -146.41 154.07 41.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -35.25 -35.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.2 ptp180 -49.99 -54.0 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.8 m -72.16 -33.02 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.596 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 56.6 t80 -55.61 -27.93 52.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -93.89 -35.9 12.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' HIS . 75.7 m -69.86 -55.61 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 4.9 p-80 -34.17 -54.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.58 174.37 42.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.443 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.1 p -101.92 85.39 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.178 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m -117.29 -25.01 7.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . . . -72.26 -29.12 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.71 -50.12 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -92.1 33.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 3.9 t80 -124.72 80.62 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -137.42 126.54 24.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 t -113.91 42.27 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.51 -174.7 16.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -6.38 18.47 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.348 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 t -155.0 149.16 25.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -134.61 84.49 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.501 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m -127.33 143.18 51.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 p -125.39 171.92 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.49 64.5 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -159.42 120.33 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -81.49 -50.65 9.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.77 67.58 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 ttt -96.3 159.24 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.736 0.303 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -100.43 155.75 36.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.695 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.64 4.19 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -171.63 -176.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.751 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -147.63 155.79 26.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 110.98 2.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.1 t -49.35 104.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.9 -28.32 42.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.711 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 12.6 m-85 -51.67 -29.21 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.51 156.98 68.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.78 137.17 34.75 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.58 127.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -46.11 1.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -86.36 42.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -77.12 119.52 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.76 154.73 52.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -65.64 91.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -69.89 -23.68 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.579 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.8 m-85 -108.87 177.3 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -161.14 138.83 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.144 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 34' ' ' ALA . 13.0 t -60.93 115.95 16.42 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 6.76 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -113.28 -35.18 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 p -134.99 28.14 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.4 m120 32.66 54.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.711 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -102.57 109.57 61.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.098 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.6 ' N ' HG23 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.81 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.2 p90 -119.91 146.19 46.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -66.3 -48.61 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.12 -175.0 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.4 -40.48 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.93 -38.38 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.4 m -87.04 -21.48 26.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.649 ' CZ ' ' HB2' ' A' ' 49' ' ' ALA . 25.2 t80 -69.01 -22.99 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -97.93 -31.11 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' HIS . 74.0 m -76.82 -55.77 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.646 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.1 p-80 -33.93 -55.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.646 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -166.71 163.1 36.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.4 p -94.13 80.03 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m -114.07 -21.14 10.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.649 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . . . -84.26 37.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -112.81 -26.45 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -133.45 33.03 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -113.02 -51.52 2.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -60.78 156.38 17.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -82.24 114.82 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.59 -175.25 15.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -179.82 3.17 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.6 m -107.94 45.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 p -95.02 -5.81 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.484 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -73.39 -49.25 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 4' ' ' GLY . 18.5 t -123.38 167.13 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.7 145.63 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -81.3 41.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -143.06 125.13 15.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.47 -63.28 3.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 mtt -73.12 109.23 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -97.71 127.9 35.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 82.0 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.27 170.3 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -136.74 163.36 25.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.14 2.48 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.242 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.7 t -56.54 108.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.58 11.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.53 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 11.3 m-85 -40.33 -36.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.17 155.93 42.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.75 138.93 39.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.74 126.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.57 -44.04 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -85.05 43.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.374 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.24 117.41 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -113.17 157.14 41.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.14 2.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -72.0 68.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -54.92 -28.23 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 8.3 m-85 -109.17 177.52 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -159.74 144.39 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.0 t -63.81 114.12 12.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 4.56 2.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.88 -34.05 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 12.0 p -133.89 26.1 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 22.4 m120 33.67 54.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -104.17 113.79 64.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.498 ' N ' HG23 ' A' ' 28' ' ' THR . 54.0 Cg_endo -69.78 111.8 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.5 p90 -119.86 133.11 55.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -59.29 -48.27 82.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.58 161.98 37.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -41.46 -35.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -47.52 -57.28 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -67.59 -37.08 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.555 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 35.1 t80 -53.85 -29.07 39.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -92.83 -33.72 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.3 m -74.24 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.652 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -32.79 -54.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.652 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -169.2 146.5 10.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.9 p -79.39 79.82 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 62.0 m -103.84 -38.09 7.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -42.26 -44.15 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 51' ' ' ASN . 16.7 pt-20 -50.39 -45.42 55.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 64.2 m-20 -74.06 -47.28 37.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' ASN . 8.7 t80 -34.48 -63.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -88.11 170.66 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 55' ' ' GLY . 69.8 m -127.96 -44.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 34.3 -117.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 99.75 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.357 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -74.31 123.41 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -74.21 -45.83 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.492 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -93.38 127.25 38.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.833 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -110.83 -44.58 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.8 124.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -73.69 158.58 34.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -54.72 163.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.38 151.77 26.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.535 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.7 mtt 62.2 37.2 14.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -45.38 152.16 0.67 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.611 0.72 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -80.41 -176.12 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.741 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -134.63 155.02 21.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 Cg_endo -69.83 111.3 2.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 t -42.26 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . -83.96 40.83 2.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.534 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 35' ' ' PRO . 11.4 m-85 -130.31 -27.16 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.56 161.99 76.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.71 141.31 45.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.11 141.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.84 -47.03 3.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 22' ' ' VAL . 1.1 mp0 -71.17 -12.94 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' GLU . 97.2 t -33.57 121.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -121.07 158.26 53.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -66.35 86.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -107.85 -178.06 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -161.81 141.47 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 34' ' ' ALA . 14.9 t -63.19 114.48 12.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 8.23 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.492 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 2.6 mmm180 -112.41 -36.25 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 21.1 p -134.91 26.17 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' CYS . 51.8 m-20 36.23 54.91 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' HG22 ' A' ' 28' ' ' THR . . . -104.95 112.48 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.576 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.78 111.3 2.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.5 p90 -118.75 146.89 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -68.2 -42.56 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -152.03 -179.7 7.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -54.99 -45.46 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 21.6 ptt180 -40.02 -42.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -81.42 -34.35 31.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 41.5 t80 -54.87 -24.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -97.07 -34.8 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 45' ' ' HIS . 80.9 m -75.44 -57.02 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -32.98 -51.39 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -168.66 176.92 42.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.542 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -103.3 82.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.492 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.3 m -124.96 29.25 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.02 -38.65 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -43.75 -45.82 7.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.85 -45.99 16.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -81.48 99.51 8.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -129.89 128.0 41.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -115.28 77.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.76 -164.48 12.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.78 4.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 p -72.95 -25.83 61.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -174.61 150.28 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.485 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -150.09 135.5 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.393 . . . . 0.0 110.82 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -165.61 175.69 8.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.99 -109.19 2.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -134.64 111.45 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -70.71 -41.65 71.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.54 159.39 16.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.5 ttm -109.54 -59.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.716 0.294 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -48.94 150.18 2.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 88.22 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -145.9 170.37 16.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.779 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -135.23 156.86 22.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.9 Cg_endo -69.76 108.11 2.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.6 t -36.9 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.5 42.19 3.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 46.6 m-85 -131.81 -32.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.98 159.23 7.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 136.44 33.09 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.86 118.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.26 -44.34 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -89.88 44.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.7 t -76.4 114.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -111.6 154.38 43.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.779 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -71.82 89.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.32 -32.83 74.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.58 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -101.41 -177.13 3.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -163.17 145.43 10.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ASN . 8.7 t -65.91 115.86 26.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.22 3.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -107.69 -35.6 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.0 p -134.29 27.04 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' CYS . 28.7 t-20 33.03 54.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -104.79 114.81 63.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.629 ' N ' HG23 ' A' ' 28' ' ' THR . 54.1 Cg_endo -69.8 114.04 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.7 p90 -119.79 142.3 48.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 p -66.38 -48.36 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 p -144.35 166.83 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.81 -34.68 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -49.73 -64.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.01 -31.32 71.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.573 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.5 t80 -60.32 -28.58 68.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.03 -34.17 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.7 m -71.38 -55.63 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -37.38 -54.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.656 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -153.7 -176.6 26.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.9 t -110.52 17.09 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.487 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.5 m -52.9 -28.59 23.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.571 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -66.74 -61.86 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' ALA . 13.5 mm-40 -36.54 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.494 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 11.4 p-10 -130.4 53.54 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -82.16 13.67 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -113.19 80.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.0 p -91.7 155.0 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.36 -123.54 7.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 160.74 48.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.3 t -90.21 95.87 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.0 p -94.26 91.82 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.5 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -170.17 139.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -166.08 157.28 13.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.64 136.2 2.26 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -96.01 154.59 17.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -79.81 159.5 26.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.17 -134.85 12.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtp -50.59 131.09 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.0 122.27 35.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 130.43 19.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.787 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -57.67 174.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -138.5 162.69 25.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.7 Cg_endo -69.75 110.2 2.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.743 2.295 . . . . 0.0 112.354 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' PRO . 8.9 t -36.97 99.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.96 39.01 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 28.1 m-85 -128.93 -33.32 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.43 159.45 8.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.76 137.16 34.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.27 124.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.26 -47.62 1.09 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -85.35 42.81 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.9 119.21 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -118.4 152.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 105.9 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.787 ' O ' ' HB1' ' A' ' 11' ' ' ALA . . . -67.47 97.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -73.03 -23.04 60.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.5 m-85 -110.26 -174.59 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.55 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -165.58 136.0 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ASN . 48.8 t -60.18 113.74 8.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 6.49 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.471 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 5.3 mmm180 -108.03 -34.53 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 17.3 p -134.62 14.98 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' CYS . 32.3 m120 46.06 55.0 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.575 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -108.51 116.51 56.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.55 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.75 114.85 3.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.8 p90 -120.34 141.88 49.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.02 -47.48 74.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -142.99 175.15 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.56 -37.84 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -50.97 -37.31 43.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.42 -29.69 22.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.59 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 30.5 t80 -62.11 -27.24 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -94.3 -34.59 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' HIS . 69.5 m -70.85 -54.82 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.647 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -36.38 -54.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.647 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.76 166.79 33.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.1 p -97.09 39.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 16.6 m -70.89 -34.57 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.96 -53.63 56.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -39.2 -41.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 2.4 t30 -80.02 -53.88 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -42.29 -62.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -93.02 146.71 23.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 m -97.9 107.06 19.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.28 178.66 49.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -7.36 20.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.289 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 t -51.38 113.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.0 p -128.62 -46.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.466 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 p -84.37 165.94 17.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -166.58 133.97 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.1 46.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -94.21 43.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -116.29 90.02 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.16 -86.66 0.31 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 9' ' ' GLU . 2.1 tpt -157.83 155.39 29.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.732 0.301 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' MET . 22.6 tt0 -33.5 134.99 0.32 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.59 68.66 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 162.16 11.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -138.39 162.36 25.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.455 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 122.52 9.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.564 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.9 t -75.44 81.26 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 17' ' ' CYS . . . -54.73 -37.93 62.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -45.6 -21.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 15' ' ' GLY . 1.6 m -88.09 157.41 51.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.75 134.43 27.99 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.35 129.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 -49.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' GLN . 55.7 mm-40 -83.82 -15.49 48.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 14' ' ' CYS . 3.0 p -44.84 95.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.428 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 70.4 mm-40 -77.47 157.97 79.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ALA . 54.0 Cg_endo -69.77 82.95 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -35.19 105.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -29.98 41.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -112.72 -173.79 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.59 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -160.91 142.07 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.84 115.17 13.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 6.15 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.2 -35.2 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' ASN . 14.6 p -133.59 27.52 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' CYS . 20.8 m120 31.83 54.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -107.31 114.09 61.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.59 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.75 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 29.1 p90 -124.21 138.4 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 29.0 p -64.27 -46.62 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' LEU . 7.7 t -148.06 156.9 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' SER . 11.4 mt -37.36 -35.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.9 mtm105 -45.72 -52.97 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.9 m -74.48 -26.04 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.544 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.6 t80 -60.67 -31.0 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -89.17 -31.15 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' HIS . 94.5 m -78.15 -59.69 2.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 6.9 p-80 -33.74 -47.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.538 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.92 165.47 38.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.2 p -99.14 41.67 1.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 m -71.37 -25.81 62.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.48 39.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -105.67 -37.42 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' PHE . 7.2 t30 -107.41 -34.4 7.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' ASN . 10.2 t80 -35.84 -53.56 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -84.22 151.42 24.83 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -44.82 128.86 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.87 88.84 0.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -49.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.9 t -52.82 118.72 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 p -107.25 134.41 50.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.465 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -122.09 128.33 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 m -140.17 128.31 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.76 45.11 1.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -58.46 149.11 26.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -112.17 123.84 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.99 -107.54 3.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 mmt -97.3 165.1 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -103.85 138.68 19.6 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.671 0.748 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 179.37 3.74 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.01 160.93 31.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -121.92 153.32 16.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.488 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.63 105.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' CYS . . . -78.89 -43.9 10.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' GLY . 26.3 m-85 -35.84 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -69.32 155.05 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.68 134.34 27.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.17 134.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.045 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.42 -52.04 2.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -80.95 45.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.6 t -74.56 118.6 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -111.41 156.9 40.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.726 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -75.46 58.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -53.29 -26.65 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 3.7 m-85 -106.61 151.09 25.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -137.01 138.49 40.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.9 t -58.02 113.44 6.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 29' ' ' CYS . 53.4 Cg_endo -69.76 7.24 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.96 -35.83 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.35 18.0 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 54.5 m-20 42.62 54.99 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' HG22 ' A' ' 28' ' ' THR . . . -105.74 114.57 62.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.548 ' N ' HG23 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.79 111.81 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 53.6 p90 -121.42 144.13 48.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -67.92 -48.35 66.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -145.69 170.17 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.97 -36.12 12.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.0 -41.06 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.9 -33.94 26.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.601 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 50.7 t80 -60.6 -31.13 70.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -88.54 -31.02 18.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -75.72 -59.07 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.665 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.5 p-80 -37.35 -55.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.665 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -159.48 165.13 34.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.4 p -96.53 53.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 111.183 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m -89.92 33.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.71 -43.03 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -54.35 -43.19 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.07 -57.9 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -72.89 87.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' SER . 11.2 m-85 -86.87 -52.17 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' TYR . 88.3 p 37.55 44.8 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.28 -167.08 17.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.55 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -4.3 13.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.639 2.226 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -70.67 103.65 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 p -67.83 -57.79 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -161.02 140.36 10.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -111.48 143.31 42.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.27 97.24 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -81.84 98.97 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -123.61 92.5 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.92 92.0 0.1 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 mtp -75.8 -61.0 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -121.13 156.64 56.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.672 0.749 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 87.56 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.67 141.53 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -127.92 165.73 20.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 113.0 3.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 42.3 t -64.52 92.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.09 -38.18 83.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -40.54 -31.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.54 156.14 83.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.76 129.55 17.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.32 130.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -45.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.47 49.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.2 t -77.41 114.57 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -110.21 156.37 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -79.0 65.37 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -56.69 -29.92 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -99.08 179.56 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.568 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -164.13 134.12 4.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 17.4 t -57.14 112.46 4.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 8.21 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -111.54 -34.67 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.0 p -134.01 18.27 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' CYS . 2.3 p-10 43.03 55.01 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.43 113.28 63.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.568 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.81 110.22 2.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.301 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.5 p90 -119.11 149.59 41.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.77 -48.2 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 p -146.06 167.06 24.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 mt -44.46 -34.01 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.75 -52.67 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.87 -24.77 58.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.476 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.7 t80 -62.22 -24.22 67.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -96.87 -33.44 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -77.33 -55.76 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.4 p-80 -36.34 -49.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.566 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -160.51 178.98 36.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.3 p -108.8 38.15 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m -76.52 -33.46 58.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.44 -41.23 19.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.84 29.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -129.68 -37.3 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 54' ' ' SER . 3.9 t80 -96.02 118.49 32.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -98.82 110.44 23.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 92.4 p -92.6 151.64 20.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.4 95.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 146.1 58.88 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 m -133.64 136.6 44.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.1 t -90.15 131.48 35.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.794 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.484 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.2 p -154.53 139.92 17.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 m -151.25 142.27 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.62 -68.09 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -59.62 157.4 11.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -86.75 39.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.82 102.4 0.8 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -98.55 39.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.476 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 32.3 tt0 -40.96 139.59 1.19 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.672 0.749 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.4 Cg_endo -69.76 158.46 56.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.283 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.59 163.42 25.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.92 156.23 15.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 111.78 2.91 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 44.8 t -63.57 102.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -75.82 -44.41 19.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 26.0 m-85 -34.53 -38.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -61.88 154.86 65.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 130.7 19.82 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.41 132.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.06 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 -47.2 1.95 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -85.69 43.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -71.74 122.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -116.93 156.45 48.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.699 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 103.68 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . . . -76.04 67.87 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -59.6 -25.13 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.0 m-85 -103.43 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.561 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -151.22 142.39 23.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ASN . 31.9 t -65.08 116.07 26.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 5.86 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.502 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 4.3 mmm180 -109.43 -36.71 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 19.1 p -134.17 23.85 3.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.6 m-20 37.28 55.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.607 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -106.05 114.98 61.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.561 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.77 119.69 6.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.8 p90 -126.37 148.6 49.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.38 -47.78 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -145.33 174.49 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.96 -41.74 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -46.86 -39.58 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.44 -39.93 18.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.583 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 34.2 t80 -55.56 -26.9 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -95.04 -36.63 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' HIS . 87.4 m -69.32 -54.93 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.3 p-80 -36.02 -53.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.634 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -158.61 176.42 35.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.69 HG22 ' HB2' ' A' ' 50' ' ' GLU . 4.4 m -107.4 44.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.502 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 8.9 m -75.96 -39.96 54.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLU . . . -52.14 -42.59 63.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.69 ' HB2' HG22 ' A' ' 47' ' ' THR . 4.3 tt0 -34.34 -60.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -40.18 82.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -42.25 -51.86 4.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -116.65 173.13 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 m 47.37 41.02 11.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.28 152.75 22.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 86.65 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -122.83 126.39 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.1 m 66.49 42.14 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.521 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -144.89 126.39 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -55.77 160.72 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.67 -166.28 12.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -96.33 91.36 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -53.61 160.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.806 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.34 46.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 2.6 ptt? -108.99 -43.88 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.7 0.286 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 8' ' ' MET . 26.4 mt-10 -157.86 143.8 12.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 80.1 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.641 2.227 . . . . 0.0 112.345 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -175.07 174.85 2.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.681 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -133.84 158.53 23.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.48 88.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.82 93.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.672 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 5.2 m-85 -42.45 -42.45 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.86 156.26 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.3 Cg_endo -69.8 133.21 24.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -32.45 133.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.62 -36.3 3.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -97.35 38.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.3 t -73.65 118.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -114.89 154.12 46.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -58.76 84.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -54.06 -31.59 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 1.2 m-85 -118.92 -174.45 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.652 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -162.39 144.8 11.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.0 t -60.11 115.17 12.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 54.0 Cg_endo -69.79 6.57 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 52' ' ' PHE . 1.1 mpt_? -115.68 -41.81 3.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 14.1 p -125.81 25.38 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' CYS . 36.4 m-80 34.9 55.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.672 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -101.19 110.85 62.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.652 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 105.83 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 34.5 p90 -113.41 135.07 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -62.58 -36.7 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.03 177.49 11.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -56.37 -39.34 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 20.9 ptt85 -47.67 -54.01 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.5 m -69.79 -35.26 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.598 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 20.1 t80 -53.32 -26.92 20.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -92.99 -31.18 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.1 m -73.51 -54.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -38.01 -54.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.14 -170.3 20.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -118.49 45.31 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m -86.25 35.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.7 -34.2 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -50.31 -34.34 23.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -132.38 73.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.635 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -128.84 -38.99 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.5 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 36.1 p90 -88.13 170.67 10.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -124.76 88.41 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -57.18 -164.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 95.97 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -104.47 -58.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 m -81.11 85.77 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.484 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 77.9 p 35.94 43.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -150.57 117.85 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.89 -133.19 4.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -59.84 -56.51 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t 58.88 43.15 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.71 65.87 1.41 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 mtt -133.85 142.92 48.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -132.47 143.86 50.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.65 59.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.58 174.62 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.759 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -129.99 149.7 18.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.71 3.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 40.5 t -59.1 106.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.77 -40.43 12.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 14.1 m-85 -39.83 -33.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.53 157.38 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 130.54 19.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.81 119.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.36 -45.22 1.35 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -91.99 46.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.08 120.35 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -114.37 155.91 45.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -74.05 74.12 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.06 -23.35 67.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 7.5 m-85 -108.62 165.12 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -149.17 144.92 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.1 t -63.61 115.79 21.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -115.11 -37.71 4.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.0 p -129.52 25.85 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' CYS . 10.0 m120 33.57 54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -104.06 111.89 65.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.579 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 113.59 3.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 47.0 p90 -122.07 147.06 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -68.42 -48.8 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.97 -176.35 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.8 -38.56 82.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 7.8 ptm180 -47.41 -43.82 24.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -80.06 -39.44 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.2 t80 -51.92 -25.41 8.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -95.77 -36.85 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' HIS . 89.5 m -70.49 -55.81 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.609 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -35.36 -51.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.609 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.4 179.27 41.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 p -104.77 81.7 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m -123.05 30.05 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.71 -39.18 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.43 -34.35 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -120.54 43.38 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -113.25 -53.11 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' SER . 1.9 p90 -85.78 96.69 9.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' TYR . 75.0 p 34.08 49.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 56' ' ' PRO . . . -87.82 116.77 4.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 55' ' ' GLY . 53.7 Cg_endo -69.8 -173.39 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.5 m -84.78 46.1 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -102.49 131.85 48.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -161.29 127.59 3.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 m -43.05 159.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.95 -67.37 2.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t 71.14 42.05 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -154.01 124.54 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.77 -110.26 0.8 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 mmt -104.87 144.79 31.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -85.48 140.35 36.1 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.666 0.746 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 175.5 8.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -123.06 163.97 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.693 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -136.22 159.32 24.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 110.9 2.67 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -56.89 92.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -35.93 90.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 5.1 m-85 -44.55 -33.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 156.92 90.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.72 59.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 144.61 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.81 -55.43 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' VAL . 53.6 mm-40 -61.98 -8.89 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' GLU . 88.5 t -35.8 119.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.62 151.93 52.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -55.65 94.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 -69.06 -29.84 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.579 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.81 -174.89 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -165.31 147.33 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.3 t -64.48 116.83 31.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 8.01 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -118.61 -43.3 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 13.2 p -124.24 26.4 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER 33.71 54.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.604 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -98.84 108.73 50.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.717 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.597 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.72 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.286 . . . . 0.0 112.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.1 p90 -109.68 144.16 38.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -67.52 -43.78 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.2 m -148.62 174.19 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.2 -46.04 45.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -39.84 -55.21 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 m -69.98 -45.31 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.534 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 21.1 t80 -46.85 -25.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -96.66 -38.47 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.4 m -69.3 -54.89 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.659 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.4 p-80 -37.01 -55.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.659 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.91 160.5 30.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -93.1 40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 m -71.67 -35.17 70.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.481 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -62.37 -42.06 99.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -52.95 -41.37 64.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -106.04 37.55 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -114.74 -51.36 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.481 ' CE1' ' O ' ' A' ' 49' ' ' ALA . 24.9 p90 -83.26 115.62 22.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.9 t -51.99 150.6 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.82 -118.16 3.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 88.54 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.5 t -70.1 -51.92 27.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 t 54.25 42.44 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.508 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -154.08 117.1 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -123.53 104.12 8.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.18 46.31 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -92.62 81.51 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -158.72 177.98 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.76 -69.47 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtt -120.85 86.21 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -39.8 137.45 1.13 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 126.43 13.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.377 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.517 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -54.97 179.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.773 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -135.47 157.39 23.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 114.48 3.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.18 102.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.38 41.21 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 35.1 m-85 -130.05 -33.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.76 159.9 6.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.72 133.18 25.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.53 134.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.35 2.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.1 40.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.07 119.64 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -116.12 153.95 48.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 104.81 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -65.15 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -60.84 -28.38 68.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -109.45 179.35 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.664 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -160.4 146.25 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -62.74 112.85 7.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.751 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 7.71 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -116.42 -44.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.1 p -116.55 4.97 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.0 m-80 53.67 54.05 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' C ' HG23 ' A' ' 28' ' ' THR . . . -108.26 115.39 58.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.664 ' N ' HG23 ' A' ' 28' ' ' THR . 54.0 Cg_endo -69.7 110.46 2.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.355 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 24.5 p90 -118.43 139.46 51.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -60.96 -48.27 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -147.75 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.72 -41.56 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -43.46 -65.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 m -61.23 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.714 ' CZ ' ' HB2' ' A' ' 49' ' ' ALA . 12.0 t80 -47.53 -28.16 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -92.11 -33.39 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' HIS . 98.8 m -72.12 -56.32 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -37.01 -54.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.654 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.92 173.78 33.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.878 HG22 ' HG2' ' A' ' 50' ' ' GLU . 16.1 m -103.55 44.81 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.17 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m -78.45 -14.9 59.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . . . -86.55 36.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.878 ' HG2' HG22 ' A' ' 47' ' ' THR . 20.7 mm-40 -81.54 -42.0 20.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -114.98 -35.78 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -61.83 101.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -133.62 154.8 50.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 p -96.62 80.04 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.1 69.01 1.41 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 152.96 69.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -106.37 145.47 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -90.73 129.7 36.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.462 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.615 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 121.457 0.476 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 107.14 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.289 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 t -48.62 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.14 -35.11 15.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 19.7 m-85 -45.15 -31.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.64 157.03 40.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.668 0.746 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.2 Cg_endo -69.83 136.82 33.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.33 126.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.67 -47.57 1.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.17 46.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.5 t -79.2 118.83 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -116.62 152.11 47.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 98.61 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -63.01 89.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -69.44 -23.27 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.526 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.6 m-85 -109.65 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -157.33 143.87 18.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.118 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 2.8 t -62.86 114.79 13.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.12 2.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -115.11 -33.77 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 13.0 p -131.26 21.41 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 7.3 t-20 35.75 54.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -107.08 115.27 60.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 111.104 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.547 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.74 116.38 4.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 46.7 p90 -123.91 135.37 53.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -60.04 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.56 179.58 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -53.84 -39.2 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -44.35 -63.47 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.9 -44.78 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.576 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 47.2 t80 -43.97 -27.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.35 -33.81 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.6 m -71.54 -53.19 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -42.77 -53.82 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.642 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -161.81 164.72 35.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 p -98.31 39.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.658 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 121.43 0.461 . . . . 0.0 112.496 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 111.12 2.71 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -42.23 99.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.85 44.42 3.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 39.5 m-85 -133.38 -34.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.71 157.8 18.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.73 132.01 22.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.03 115.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.01 -44.36 1.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -93.65 43.24 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.76 125.13 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -121.04 154.95 58.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -76.22 73.23 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -60.46 -23.88 64.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.52 166.59 10.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -152.96 148.0 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.0 119.46 52.16 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 5.48 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -120.78 -48.74 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 11.5 p -112.65 22.2 14.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 32' ' ' CYS . 12.2 t-20 32.67 54.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -103.11 113.56 65.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.739 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.598 ' N ' HG23 ' A' ' 28' ' ' THR . 53.3 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.301 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 40.8 p90 -120.99 136.34 55.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.12 -48.38 78.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -143.17 175.41 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.99 -38.19 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 18.1 ptp180 -45.58 -54.69 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 16.2 m -69.8 -39.27 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.551 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 23.9 t80 -52.23 -28.27 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -91.03 -33.96 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' HIS . 93.1 m -74.15 -58.91 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -34.71 -48.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.557 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -163.35 -173.73 32.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 p -114.49 43.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.156 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.766 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 121.454 0.475 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.5 Cg_endo -69.78 110.3 2.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.234 . . . . 0.0 112.314 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' PRO . 10.2 t -36.49 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.03 35.68 3.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 27.5 m-85 -125.16 -34.3 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.57 157.13 19.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.74 136.52 33.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -30.17 134.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.33 -44.62 2.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -86.86 40.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -77.42 121.33 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -118.25 154.58 51.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.84 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -67.86 87.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 mtt-85 -65.26 -35.24 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -98.42 177.28 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.639 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.7 OUTLIER -162.56 145.74 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.142 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.63 115.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.94 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -119.18 -40.0 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.577 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 9.4 p -124.32 23.38 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.7 m120 33.95 54.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.577 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -105.39 112.81 64.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.639 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 121.93 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 31.9 p90 -129.86 130.75 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -56.91 -47.71 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 m -143.77 173.95 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -51.17 -44.88 61.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.78 -37.93 2.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.19 -35.8 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.538 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 28.5 t80 -56.87 -24.3 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -96.74 -36.43 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' HIS . 84.2 m -70.83 -55.4 8.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -35.35 -47.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -162.94 169.47 38.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -100.33 40.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.644 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 121.431 0.461 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.78 3.82 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -41.73 97.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.5 39.89 2.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.692 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 22.2 m-85 -128.96 -33.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.95 156.8 23.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.78 136.92 34.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.401 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.59 125.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.19 -42.45 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -91.61 41.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 118.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -118.14 153.23 51.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.15 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -72.05 78.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.6 mmt-85 -58.53 -17.54 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 9.2 m-85 -122.57 -177.74 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -163.3 149.22 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.096 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t -67.92 115.93 33.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 7.47 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -118.0 -38.11 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 11.6 p -129.71 28.25 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.3 m-20 31.91 54.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.692 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -102.41 109.64 60.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.616 ' N ' HG23 ' A' ' 28' ' ' THR . 54.1 Cg_endo -69.74 109.0 2.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 41.1 p90 -115.73 140.0 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -63.83 -42.41 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -151.77 167.9 26.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -44.87 -31.93 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -51.97 -65.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 m -62.22 -31.29 71.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.587 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 17.8 t80 -57.33 -28.83 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -91.76 -32.79 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -72.72 -55.84 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.651 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.2 p-80 -37.67 -54.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.651 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -154.74 172.47 33.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -100.74 15.3 28.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.751 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 121.453 0.474 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 106.78 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 42.6 t -49.76 102.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.81 -41.28 28.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 15.0 m-85 -39.7 -37.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.59 157.05 80.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.76 52.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.397 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 144.7 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.27 -55.71 4.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' VAL . 55.4 mm-40 -58.72 -11.02 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLU . 94.7 t -37.52 120.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' OE1' ' HD2' ' A' ' 24' ' ' PRO . 10.1 mm-40 -120.43 154.69 56.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD2' ' OE1' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.78 91.03 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -60.87 94.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -69.32 -35.15 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.3 m-85 -95.46 -178.84 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -167.65 145.35 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.4 t -60.98 116.27 17.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.98 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.719 2.28 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -117.87 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 10.7 p -126.82 26.7 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.4 m120 31.21 55.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -103.11 111.91 65.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.605 0.717 . . . . 0.0 111.064 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.587 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.83 122.83 9.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 22.3 p90 -132.0 127.73 36.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -54.84 -41.44 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -148.8 169.87 19.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' ARG . 1.9 tp -49.58 -45.15 47.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -37.29 -51.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.3 m -73.18 -36.53 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.563 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 39.2 t80 -50.49 -30.81 13.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 mtt-85 -90.64 -35.66 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -69.91 -56.99 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.2 p-80 -38.01 -49.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.574 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -165.47 169.58 39.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.8 p -102.85 41.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 121.398 0.443 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.93 6.8 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 t -48.31 103.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.2 33.87 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.501 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 4.4 m-85 -128.02 -10.24 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.98 158.96 31.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ALA . 52.9 Cg_endo -69.87 143.16 49.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.227 . . . . 0.0 112.356 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -35.89 149.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 -53.66 3.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.543 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -76.88 -19.18 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 14' ' ' CYS . 5.3 p -44.98 97.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 48.0 mt-30 -79.83 155.18 75.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 101.2 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 35' ' ' PRO . . . -55.18 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.53 -19.11 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.6 m-85 -121.3 -178.77 3.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -156.52 130.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -45.52 114.0 2.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 8.94 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -117.87 -45.92 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 15.5 p -116.0 3.63 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.524 ' C ' HG22 ' A' ' 28' ' ' THR . 15.4 m-80 55.37 54.11 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -106.33 114.71 61.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.061 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.577 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.79 101.39 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 50.3 p90 -106.01 153.94 21.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 20.2 p -78.07 -41.09 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 m -153.45 173.27 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -47.59 -45.51 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -40.32 -62.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.71 -46.1 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.533 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.4 t80 -42.66 -26.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -97.49 -37.21 10.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 45' ' ' HIS . 57.8 m -70.47 -54.87 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 5.0 p-80 -33.21 -42.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -178.08 173.57 46.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -100.22 84.99 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 121.397 0.443 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 122.03 8.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -54.7 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.3 35.24 2.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.532 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 36.0 m-85 -125.87 -21.09 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.03 162.99 55.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.56 56.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.12 102.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.18 -38.17 2.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -107.72 36.75 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 14' ' ' CYS . 2.3 p -89.29 66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -50.26 155.06 1.82 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 101.28 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 35' ' ' PRO . . . -56.06 93.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -66.4 -33.07 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -104.89 -174.35 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -161.72 146.46 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.415 ' HG ' ' HE1' ' A' ' 42' ' ' TYR . 1.8 t -61.8 118.75 41.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.18 -47.45 3.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 14.5 p -119.37 26.94 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' CYS . 17.1 m-20 31.82 54.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -103.89 114.01 64.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.597 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.73 111.43 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 39.0 p90 -114.89 140.91 48.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -68.0 -46.88 70.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' LEU . 12.9 t -146.41 154.07 41.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -35.25 -35.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.2 ptp180 -49.99 -54.0 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.8 m -72.16 -33.02 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.596 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 56.6 t80 -55.61 -27.93 52.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -93.89 -35.9 12.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' HIS . 75.7 m -69.86 -55.61 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 4.9 p-80 -34.17 -54.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.58 174.37 42.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.443 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.1 p -101.92 85.39 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.178 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.751 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 121.417 0.454 . . . . 0.0 112.539 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 110.98 2.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.1 t -49.35 104.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.9 -28.32 42.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.711 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 12.6 m-85 -51.67 -29.21 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.51 156.98 68.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.78 137.17 34.75 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.58 127.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -46.11 1.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -86.36 42.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -77.12 119.52 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.76 154.73 52.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -65.64 91.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -69.89 -23.68 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.579 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.8 m-85 -108.87 177.3 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -161.14 138.83 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.144 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 34' ' ' ALA . 13.0 t -60.93 115.95 16.42 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 6.76 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -113.28 -35.18 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 p -134.99 28.14 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.4 m120 32.66 54.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.711 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -102.57 109.57 61.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.098 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.6 ' N ' HG23 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.81 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.2 p90 -119.91 146.19 46.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -66.3 -48.61 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.12 -175.0 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.4 -40.48 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.93 -38.38 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.4 m -87.04 -21.48 26.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.495 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 25.2 t80 -69.01 -22.99 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -97.93 -31.11 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' HIS . 74.0 m -76.82 -55.77 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.646 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.1 p-80 -33.93 -55.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.646 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -166.71 163.1 36.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.4 p -94.13 80.03 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 121.406 0.448 . . . . 0.0 112.511 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.14 2.48 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.242 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.7 t -56.54 108.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.58 11.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.53 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 11.3 m-85 -40.33 -36.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.17 155.93 42.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.75 138.93 39.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.74 126.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.57 -44.04 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -85.05 43.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.374 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.24 117.41 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -113.17 157.14 41.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.14 2.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -72.0 68.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -54.92 -28.23 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 8.3 m-85 -109.17 177.52 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -159.74 144.39 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.0 t -63.81 114.12 12.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 4.56 2.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.88 -34.05 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 12.0 p -133.89 26.1 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 22.4 m120 33.67 54.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -104.17 113.79 64.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.498 ' N ' HG23 ' A' ' 28' ' ' THR . 54.0 Cg_endo -69.78 111.8 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.5 p90 -119.86 133.11 55.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -59.29 -48.27 82.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.58 161.98 37.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -41.46 -35.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -47.52 -57.28 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -67.59 -37.08 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.555 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 35.1 t80 -53.85 -29.07 39.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -92.83 -33.72 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.3 m -74.24 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.652 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -32.79 -54.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.652 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -169.2 146.5 10.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.9 p -79.39 79.82 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 62.0 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.741 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 121.48 0.489 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 Cg_endo -69.83 111.3 2.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 t -42.26 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . -83.96 40.83 2.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.534 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 35' ' ' PRO . 11.4 m-85 -130.31 -27.16 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.56 161.99 76.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.71 141.31 45.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.11 141.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.84 -47.03 3.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 22' ' ' VAL . 1.1 mp0 -71.17 -12.94 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' GLU . 97.2 t -33.57 121.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -121.07 158.26 53.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -66.35 86.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -107.85 -178.06 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -161.81 141.47 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 34' ' ' ALA . 14.9 t -63.19 114.48 12.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 8.23 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.492 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 2.6 mmm180 -112.41 -36.25 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 21.1 p -134.91 26.17 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' CYS . 51.8 m-20 36.23 54.91 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' HG22 ' A' ' 28' ' ' THR . . . -104.95 112.48 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.576 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.78 111.3 2.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.5 p90 -118.75 146.89 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -68.2 -42.56 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -152.03 -179.7 7.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -54.99 -45.46 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 21.6 ptt180 -40.02 -42.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -81.42 -34.35 31.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.479 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 41.5 t80 -54.87 -24.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -97.07 -34.8 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 45' ' ' HIS . 80.9 m -75.44 -57.02 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -32.98 -51.39 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -168.66 176.92 42.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.542 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -103.3 82.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.492 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.779 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 121.403 0.446 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.9 Cg_endo -69.76 108.11 2.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.6 t -36.9 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.5 42.19 3.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 46.6 m-85 -131.81 -32.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.98 159.23 7.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 136.44 33.09 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.86 118.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.26 -44.34 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -89.88 44.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.7 t -76.4 114.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -111.6 154.38 43.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.779 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -71.82 89.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.32 -32.83 74.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.58 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -101.41 -177.13 3.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -163.17 145.43 10.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ASN . 8.7 t -65.91 115.86 26.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.22 3.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -107.69 -35.6 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.0 p -134.29 27.04 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' CYS . 28.7 t-20 33.03 54.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -104.79 114.81 63.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.629 ' N ' HG23 ' A' ' 28' ' ' THR . 54.1 Cg_endo -69.8 114.04 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.7 p90 -119.79 142.3 48.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 p -66.38 -48.36 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 p -144.35 166.83 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.81 -34.68 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -49.73 -64.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.01 -31.32 71.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.573 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.5 t80 -60.32 -28.58 68.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.03 -34.17 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.7 m -71.38 -55.63 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -37.38 -54.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.656 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -153.7 -176.6 26.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.9 t -110.52 17.09 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.487 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.5 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 121.458 0.477 . . . . 0.0 112.476 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.7 Cg_endo -69.75 110.2 2.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.743 2.295 . . . . 0.0 112.354 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' PRO . 8.9 t -36.97 99.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.96 39.01 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 28.1 m-85 -128.93 -33.32 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.43 159.45 8.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.76 137.16 34.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.27 124.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.26 -47.62 1.09 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -85.35 42.81 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.9 119.21 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -118.4 152.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 105.9 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -67.47 97.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -73.03 -23.04 60.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.5 m-85 -110.26 -174.59 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.55 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -165.58 136.0 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ASN . 48.8 t -60.18 113.74 8.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 6.49 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.471 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 5.3 mmm180 -108.03 -34.53 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 17.3 p -134.62 14.98 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' CYS . 32.3 m120 46.06 55.0 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.575 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -108.51 116.51 56.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.55 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.75 114.85 3.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.8 p90 -120.34 141.88 49.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.02 -47.48 74.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -142.99 175.15 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.56 -37.84 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -50.97 -37.31 43.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.42 -29.69 22.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.59 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 30.5 t80 -62.11 -27.24 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -94.3 -34.59 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' HIS . 69.5 m -70.85 -54.82 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.647 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -36.38 -54.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.647 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.76 166.79 33.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.1 p -97.09 39.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 16.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.546 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 121.459 0.477 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 122.52 9.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.564 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.9 t -75.44 81.26 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 17' ' ' CYS . . . -54.73 -37.93 62.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -45.6 -21.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 15' ' ' GLY . 1.6 m -88.09 157.41 51.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.75 134.43 27.99 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.35 129.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 -49.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' GLN . 55.7 mm-40 -83.82 -15.49 48.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 14' ' ' CYS . 3.0 p -44.84 95.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.428 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 70.4 mm-40 -77.47 157.97 79.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ALA . 54.0 Cg_endo -69.77 82.95 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -35.19 105.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -29.98 41.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -112.72 -173.79 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.59 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -160.91 142.07 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.84 115.17 13.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 6.15 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.2 -35.2 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' ASN . 14.6 p -133.59 27.52 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' CYS . 20.8 m120 31.83 54.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -107.31 114.09 61.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.59 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.75 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 29.1 p90 -124.21 138.4 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 29.0 p -64.27 -46.62 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' LEU . 7.7 t -148.06 156.9 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' SER . 11.4 mt -37.36 -35.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.9 mtm105 -45.72 -52.97 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.9 m -74.48 -26.04 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.544 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.6 t80 -60.67 -31.0 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -89.17 -31.15 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' HIS . 94.5 m -78.15 -59.69 2.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 6.9 p-80 -33.74 -47.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.538 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.92 165.47 38.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.2 p -99.14 41.67 1.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 121.443 0.468 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.63 105.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' CYS . . . -78.89 -43.9 10.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' GLY . 26.3 m-85 -35.84 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -69.32 155.05 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.68 134.34 27.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.17 134.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.045 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.42 -52.04 2.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -80.95 45.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.6 t -74.56 118.6 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -111.41 156.9 40.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.726 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -75.46 58.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -53.29 -26.65 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 3.7 m-85 -106.61 151.09 25.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -137.01 138.49 40.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.9 t -58.02 113.44 6.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 29' ' ' CYS . 53.4 Cg_endo -69.76 7.24 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.96 -35.83 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.35 18.0 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 54.5 m-20 42.62 54.99 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' HG22 ' A' ' 28' ' ' THR . . . -105.74 114.57 62.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.548 ' N ' HG23 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.79 111.81 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 53.6 p90 -121.42 144.13 48.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -67.92 -48.35 66.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -145.69 170.17 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.97 -36.12 12.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.0 -41.06 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.9 -33.94 26.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.601 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 50.7 t80 -60.6 -31.13 70.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -88.54 -31.02 18.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -75.72 -59.07 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.665 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.5 p-80 -37.35 -55.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.665 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -159.48 165.13 34.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.4 p -96.53 53.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 111.183 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 121.453 0.474 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 113.0 3.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 42.3 t -64.52 92.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.09 -38.18 83.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -40.54 -31.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.54 156.14 83.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.76 129.55 17.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.32 130.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -45.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.47 49.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.2 t -77.41 114.57 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -110.21 156.37 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -79.0 65.37 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -56.69 -29.92 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -99.08 179.56 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.568 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -164.13 134.12 4.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 17.4 t -57.14 112.46 4.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 8.21 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -111.54 -34.67 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.0 p -134.01 18.27 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' CYS . 7.7 p30 43.03 55.01 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.43 113.28 63.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.568 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.81 110.22 2.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.301 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.5 p90 -119.11 149.59 41.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.77 -48.2 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 p -146.06 167.06 24.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 mt -44.46 -34.01 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.75 -52.67 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.87 -24.77 58.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.476 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.7 t80 -62.22 -24.22 67.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -96.87 -33.44 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -77.33 -55.76 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.4 p-80 -36.34 -49.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.566 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -160.51 178.98 36.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.3 p -108.8 38.15 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 121.426 0.459 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 111.78 2.91 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 44.8 t -63.57 102.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -75.82 -44.41 19.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.607 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 26.0 m-85 -34.53 -38.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -61.88 154.86 65.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 130.7 19.82 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.41 132.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.06 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 -47.2 1.95 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -85.69 43.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -71.74 122.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -116.93 156.45 48.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.699 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 103.68 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . . . -76.04 67.87 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -59.6 -25.13 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.0 m-85 -103.43 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.561 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -151.22 142.39 23.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ASN . 31.9 t -65.08 116.07 26.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 5.86 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.502 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 4.3 mmm180 -109.43 -36.71 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 19.1 p -134.17 23.85 3.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.6 m-20 37.28 55.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.607 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -106.05 114.98 61.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.561 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.77 119.69 6.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.8 p90 -126.37 148.6 49.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.38 -47.78 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -145.33 174.49 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.96 -41.74 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -46.86 -39.58 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.44 -39.93 18.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.583 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 34.2 t80 -55.56 -26.9 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -95.04 -36.63 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' HIS . 87.4 m -69.32 -54.93 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.3 p-80 -36.02 -53.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.634 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -158.61 176.42 35.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -107.4 44.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.502 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 8.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.681 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 121.447 0.47 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.48 88.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.82 93.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.672 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 5.2 m-85 -42.45 -42.45 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.86 156.26 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.3 Cg_endo -69.8 133.21 24.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -32.45 133.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.62 -36.3 3.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -97.35 38.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.3 t -73.65 118.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -114.89 154.12 46.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -58.76 84.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -54.06 -31.59 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 1.2 m-85 -118.92 -174.45 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.652 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -162.39 144.8 11.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.0 t -60.11 115.17 12.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 54.0 Cg_endo -69.79 6.57 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CZ ' ' HG2' ' A' ' 30' ' ' PRO . 1.1 mpt_? -115.68 -41.81 3.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 14.1 p -125.81 25.38 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' CYS . 36.4 m-80 34.9 55.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.672 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -101.19 110.85 62.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.652 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 105.83 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 34.5 p90 -113.41 135.07 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -62.58 -36.7 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.03 177.49 11.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -56.37 -39.34 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 20.9 ptt85 -47.67 -54.01 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.5 m -69.79 -35.26 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.598 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 20.1 t80 -53.32 -26.92 20.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -92.99 -31.18 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.1 m -73.51 -54.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -38.01 -54.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.14 -170.3 20.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -118.49 45.31 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.759 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 121.42 0.456 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.71 3.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 40.5 t -59.1 106.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.77 -40.43 12.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 14.1 m-85 -39.83 -33.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.53 157.38 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 130.54 19.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.81 119.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.36 -45.22 1.35 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -91.99 46.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.08 120.35 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -114.37 155.91 45.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -74.05 74.12 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.06 -23.35 67.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 7.5 m-85 -108.62 165.12 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -149.17 144.92 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.1 t -63.61 115.79 21.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -115.11 -37.71 4.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.0 p -129.52 25.85 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' CYS . 10.0 m120 33.57 54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -104.06 111.89 65.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.579 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 113.59 3.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 47.0 p90 -122.07 147.06 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -68.42 -48.8 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.97 -176.35 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.8 -38.56 82.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 7.8 ptm180 -47.41 -43.82 24.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -80.06 -39.44 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.535 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.2 t80 -51.92 -25.41 8.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -95.77 -36.85 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' HIS . 89.5 m -70.49 -55.81 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.609 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -35.36 -51.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.609 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.4 179.27 41.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 p -104.77 81.7 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.693 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 121.385 0.436 . . . . 0.0 112.533 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 110.9 2.67 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -56.89 92.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -35.93 90.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 5.1 m-85 -44.55 -33.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 156.92 90.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.72 59.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 144.61 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.81 -55.43 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' VAL . 53.6 mm-40 -61.98 -8.89 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' GLU . 88.5 t -35.8 119.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.62 151.93 52.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -55.65 94.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 -69.06 -29.84 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.579 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.81 -174.89 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -165.31 147.33 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.3 t -64.48 116.83 31.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 8.01 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -118.61 -43.3 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 13.2 p -124.24 26.4 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' CYS . 9.0 p30 33.71 54.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.604 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -98.84 108.73 50.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.717 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.597 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.72 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.286 . . . . 0.0 112.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.1 p90 -109.68 144.16 38.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -67.52 -43.78 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.2 m -148.62 174.19 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.2 -46.04 45.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -39.84 -55.21 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 m -69.98 -45.31 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.534 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 21.1 t80 -46.85 -25.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -96.66 -38.47 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.4 m -69.3 -54.89 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.659 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.4 p-80 -37.01 -55.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.659 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.91 160.5 30.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -93.1 40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.773 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 121.448 0.471 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 114.48 3.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.18 102.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.38 41.21 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 35.1 m-85 -130.05 -33.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.76 159.9 6.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.72 133.18 25.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.53 134.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.35 2.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.1 40.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.07 119.64 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -116.12 153.95 48.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 104.81 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -65.15 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -60.84 -28.38 68.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -109.45 179.35 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.664 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -160.4 146.25 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -62.74 112.85 7.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.751 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 7.71 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -116.42 -44.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.1 p -116.55 4.97 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.0 m-80 53.67 54.05 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' C ' HG23 ' A' ' 28' ' ' THR . . . -108.26 115.39 58.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.664 ' N ' HG23 ' A' ' 28' ' ' THR . 54.0 Cg_endo -69.7 110.46 2.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.355 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 24.5 p90 -118.43 139.46 51.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -60.96 -48.27 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -147.75 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.72 -41.56 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -43.46 -65.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 m -61.23 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.582 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 12.0 t80 -47.53 -28.16 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -92.11 -33.39 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' HIS . 98.8 m -72.12 -56.32 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -37.01 -54.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.654 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.92 173.78 33.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.493 ' O ' HG22 ' A' ' 47' ' ' THR . 16.1 m -103.55 44.81 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.17 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -61.9 166.63 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -133.33 136.39 45.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 145.22 44.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.432 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -39.27 159.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 p -89.55 114.56 26.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.24 -77.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.6 mtp -120.83 122.41 40.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -100.65 133.72 21.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.2 7.11 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.8 175.94 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.615 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -144.36 151.2 23.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 107.14 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.289 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 t -48.62 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.14 -35.11 15.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 19.7 m-85 -45.15 -31.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.64 157.03 40.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.668 0.746 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.2 Cg_endo -69.83 136.82 33.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.33 126.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.67 -47.57 1.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.17 46.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.5 t -79.2 118.83 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -116.62 152.11 47.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 98.61 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -63.01 89.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -69.44 -23.27 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.526 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.6 m-85 -109.65 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -157.33 143.87 18.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.118 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 2.8 t -62.86 114.79 13.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.12 2.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -115.11 -33.77 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 13.0 p -131.26 21.41 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 7.3 t-20 35.75 54.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -107.08 115.27 60.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 111.104 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.547 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.74 116.38 4.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 46.7 p90 -123.91 135.37 53.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -60.04 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.56 179.58 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -53.84 -39.2 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -44.35 -63.47 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.9 -44.78 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.576 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 47.2 t80 -43.97 -27.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.35 -33.81 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.6 m -71.54 -53.19 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -42.77 -53.82 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.642 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -161.81 164.72 35.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 p -98.31 39.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.4 m -65.56 -36.48 83.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . . . -47.86 -36.98 12.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.24 -57.29 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -97.16 53.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -134.27 -54.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -38.41 -46.74 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 t 59.32 41.76 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.28 156.77 15.62 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 0.85 5.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.3 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.1 m -74.11 -55.26 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.9 t -37.9 146.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.48 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -117.1 156.91 26.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -124.61 136.67 54.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.43 87.63 1.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -93.95 175.43 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -172.41 166.37 5.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.86 131.36 2.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.0 ttp -57.57 -48.35 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -93.98 148.42 35.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.652 0.739 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 109.67 2.35 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.02 167.41 29.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.658 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -129.46 156.54 21.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 111.12 2.71 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -42.23 99.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.85 44.42 3.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 39.5 m-85 -133.38 -34.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.71 157.8 18.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.73 132.01 22.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.03 115.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.01 -44.36 1.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -93.65 43.24 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.76 125.13 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -121.04 154.95 58.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -76.22 73.23 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -60.46 -23.88 64.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.52 166.59 10.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -152.96 148.0 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.0 119.46 52.16 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 5.48 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 3.8 mtm180 -120.78 -48.74 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 11.5 p -112.65 22.2 14.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 32' ' ' CYS . 12.2 t-20 32.67 54.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -103.11 113.56 65.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.739 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.598 ' N ' HG23 ' A' ' 28' ' ' THR . 53.3 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.301 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 40.8 p90 -120.99 136.34 55.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.12 -48.38 78.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -143.17 175.41 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.99 -38.19 62.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 18.1 ptp180 -45.58 -54.69 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 16.2 m -69.8 -39.27 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.551 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 23.9 t80 -52.23 -28.27 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -91.03 -33.96 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' HIS . 93.1 m -74.15 -58.91 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.4 p-80 -34.71 -48.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.557 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -163.35 -173.73 32.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 p -114.49 43.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.156 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m -83.3 36.86 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 50' ' ' GLU . . . -121.33 -32.1 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' ALA . 15.5 tt0 -34.11 -39.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -98.1 -36.21 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 31' ' ' ARG . 4.2 m-85 -82.41 82.06 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 50' ' ' GLU . 10.4 m-85 -113.31 -56.64 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -78.69 132.01 36.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.75 87.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 119.0 6.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.303 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.7 m -150.54 -178.74 6.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -96.66 169.1 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.501 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -137.56 153.61 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.401 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 m -154.81 164.03 39.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.73 86.31 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.43 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -46.09 -51.65 13.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -41.5 144.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.87 68.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.2 mtm -86.54 155.62 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -163.73 137.59 4.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.16 18.85 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -83.77 172.14 12.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.766 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -137.37 158.48 24.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.5 Cg_endo -69.78 110.3 2.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.234 . . . . 0.0 112.314 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' PRO . 10.2 t -36.49 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.03 35.68 3.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 27.5 m-85 -125.16 -34.3 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.57 157.13 19.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.74 136.52 33.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -30.17 134.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.33 -44.62 2.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -86.86 40.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.7 t -77.42 121.33 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -118.25 154.58 51.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.84 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -67.86 87.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HA ' ' CB ' ' A' ' 11' ' ' ALA . 38.6 mtt-85 -65.26 -35.24 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -98.42 177.28 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.639 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.7 OUTLIER -162.56 145.74 11.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.142 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.63 115.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.94 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -119.18 -40.0 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.577 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 9.4 p -124.32 23.38 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.7 m120 33.95 54.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.577 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -105.39 112.81 64.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.639 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 121.93 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 31.9 p90 -129.86 130.75 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -56.91 -47.71 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 m -143.77 173.95 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -51.17 -44.88 61.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -43.78 -37.93 2.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.19 -35.8 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.538 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 28.5 t80 -56.87 -24.3 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -96.74 -36.43 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' HIS . 84.2 m -70.83 -55.4 8.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -35.35 -47.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.535 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -162.94 169.47 38.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -100.33 40.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 10.4 m -71.85 -33.82 68.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.576 ' HA ' ' CD1' ' A' ' 52' ' ' PHE . . . -75.91 60.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -122.17 -40.01 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 52' ' ' PHE . 35.5 m120 -110.56 -37.12 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 2.0 p90 -35.72 -42.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -58.04 145.42 36.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.95 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.5 m -122.81 168.92 11.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.4 -81.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 2.85 3.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -100.71 110.96 23.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.8 t -85.98 -51.5 6.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -62.05 127.19 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 t -87.05 93.69 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.25 50.65 4.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -82.25 106.11 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -171.73 167.97 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.76 -70.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.4 tpt -72.82 119.74 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -109.49 130.99 22.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 173.75 10.57 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -67.37 -177.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.644 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -126.43 158.12 20.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.78 3.82 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -41.73 97.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.5 39.89 2.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.692 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 22.2 m-85 -128.96 -33.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.95 156.8 23.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.78 136.92 34.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.401 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.59 125.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.19 -42.45 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -91.61 41.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 118.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -118.14 153.23 51.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.15 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -72.05 78.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.6 mmt-85 -58.53 -17.54 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 9.2 m-85 -122.57 -177.74 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -163.3 149.22 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.096 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t -67.92 115.93 33.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 7.47 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -118.0 -38.11 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 11.6 p -129.71 28.25 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.3 m-20 31.91 54.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.692 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -102.41 109.64 60.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.616 ' N ' HG23 ' A' ' 28' ' ' THR . 54.1 Cg_endo -69.74 109.0 2.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 41.1 p90 -115.73 140.0 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -63.83 -42.41 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -151.77 167.9 26.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -44.87 -31.93 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -51.97 -65.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 m -62.22 -31.29 71.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.587 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 17.8 t80 -57.33 -28.83 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -91.76 -32.79 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -72.72 -55.84 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.651 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.2 p-80 -37.67 -54.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.651 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -154.74 172.47 33.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -100.74 15.3 28.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 m -44.77 -27.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HB2' ' OH ' ' A' ' 42' ' ' TYR . . . -83.27 35.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -99.21 -17.59 18.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -128.59 -40.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 36.9 t80 -53.45 104.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 52.2 m-85 -166.2 175.29 8.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -101.07 129.07 46.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.92 85.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.29 47.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.9 p -117.55 -44.0 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 p -55.12 137.39 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.486 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -103.88 118.37 36.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -92.56 110.1 21.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.24 -106.61 0.83 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -65.77 168.59 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -103.14 -56.38 2.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.76 177.48 37.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptm -102.36 41.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.707 0.289 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -130.18 157.42 77.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 83.38 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.79 136.09 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.751 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -111.45 152.78 17.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 106.78 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 42.6 t -49.76 102.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.81 -41.28 28.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 15.0 m-85 -39.7 -37.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.59 157.05 80.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.76 52.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.397 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 144.7 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.27 -55.71 4.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' VAL . 55.4 mm-40 -58.72 -11.02 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLU . 94.7 t -37.52 120.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' OE1' ' HD2' ' A' ' 24' ' ' PRO . 10.1 mm-40 -120.43 154.69 56.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD2' ' OE1' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.78 91.03 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -60.87 94.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -69.32 -35.15 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.3 m-85 -95.46 -178.84 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -167.65 145.35 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.4 t -60.98 116.27 17.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.98 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.719 2.28 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -117.87 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 10.7 p -126.82 26.7 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' CYS . 4.4 m120 31.21 55.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -103.11 111.91 65.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.605 0.717 . . . . 0.0 111.064 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.587 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.83 122.83 9.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 22.3 p90 -132.0 127.73 36.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -54.84 -41.44 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -148.8 169.87 19.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' ARG . 1.9 tp -49.58 -45.15 47.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.9 ptt180 -37.29 -51.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.3 m -73.18 -36.53 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 49' ' ' ALA . 39.2 t80 -50.49 -30.81 13.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 mtt-85 -90.64 -35.66 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -69.91 -56.99 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.2 p-80 -38.01 -49.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.574 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -165.47 169.58 39.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.8 p -102.85 41.28 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.2 m -70.8 -42.09 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . . . -51.11 -45.4 61.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.25 -52.99 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -93.62 37.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 36.7 t80 -125.4 171.87 10.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 43.8 p90 43.02 40.73 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 t -76.74 162.88 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.64 -160.8 31.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.25 3.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 t -59.77 143.49 50.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -56.72 163.05 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.808 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.507 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -133.99 104.58 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -111.94 165.66 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.52 131.04 6.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -106.0 97.55 7.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -52.6 -44.93 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.39 -65.01 0.43 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 161.63 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -82.3 158.57 66.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.679 0.752 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.42 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -101.36 -175.81 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -149.63 164.89 29.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.531 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.93 6.8 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 t -48.31 103.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.2 33.87 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.501 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 4.4 m-85 -128.02 -10.24 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.98 158.96 31.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ALA . 52.9 Cg_endo -69.87 143.16 49.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.227 . . . . 0.0 112.356 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -35.89 149.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.71 -53.66 3.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.543 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -76.88 -19.18 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 14' ' ' CYS . 5.3 p -44.98 97.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 48.0 mt-30 -79.83 155.18 75.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 101.2 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.529 ' O ' ' HB1' ' A' ' 11' ' ' ALA . . . -55.18 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.53 -19.11 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.6 m-85 -121.3 -178.77 3.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -156.52 130.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -45.52 114.0 2.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 8.94 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -117.87 -45.92 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 15.5 p -116.0 3.63 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.524 ' C ' HG22 ' A' ' 28' ' ' THR . 15.4 m-80 55.37 54.11 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -106.33 114.71 61.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.061 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.577 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.79 101.39 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 50.3 p90 -106.01 153.94 21.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 20.2 p -78.07 -41.09 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 m -153.45 173.27 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -47.59 -45.51 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -40.32 -62.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.71 -46.1 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.533 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.4 t80 -42.66 -26.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -97.49 -37.21 10.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 45' ' ' HIS . 57.8 m -70.47 -54.87 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 5.0 p-80 -33.21 -42.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -178.08 173.57 46.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -100.22 84.99 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.39 -43.68 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.66 -37.46 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -46.21 -45.1 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -108.72 40.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -113.09 -52.98 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -77.7 169.51 18.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 t -122.14 117.8 27.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.19 -111.85 1.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -175.36 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 m -82.11 167.93 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.5 t -133.29 108.5 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.467 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 p -171.89 177.85 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -110.27 117.55 33.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.22 146.6 1.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m -86.47 119.17 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 t -147.14 108.74 4.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.74 158.73 20.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.47 -21.47 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -114.4 145.26 33.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.743 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 116.3 4.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.99 169.57 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -142.67 162.91 27.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 122.03 8.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -54.7 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.3 35.24 2.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.532 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 36.0 m-85 -125.87 -21.09 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.03 162.99 55.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.56 56.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.12 102.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.18 -38.17 2.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -107.72 36.75 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 14' ' ' CYS . 2.3 p -89.29 66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -50.26 155.06 1.82 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 101.28 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 35' ' ' PRO . . . -56.06 93.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -66.4 -33.07 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -104.89 -174.35 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -161.72 146.46 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.8 118.75 41.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.18 -47.45 3.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 14.5 p -119.37 26.94 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' CYS . 17.1 m-20 31.82 54.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -103.89 114.01 64.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.597 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.73 111.43 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 39.0 p90 -114.89 140.91 48.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -68.0 -46.88 70.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' LEU . 12.9 t -146.41 154.07 41.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -35.25 -35.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.2 ptp180 -49.99 -54.0 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.8 m -72.16 -33.02 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.596 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 56.6 t80 -55.61 -27.93 52.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -93.89 -35.9 12.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' HIS . 75.7 m -69.86 -55.61 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 4.9 p-80 -34.17 -54.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.58 174.37 42.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.443 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.1 p -101.92 85.39 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.178 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m -117.29 -25.01 7.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . . . -72.26 -29.12 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.71 -50.12 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -92.1 33.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 3.9 t80 -124.72 80.62 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -137.42 126.54 24.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 t -113.91 42.27 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.51 -174.7 16.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -6.38 18.47 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.348 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 t -155.0 149.16 25.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -134.61 84.49 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.501 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m -127.33 143.18 51.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 p -125.39 171.92 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.49 64.5 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -159.42 120.33 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -81.49 -50.65 9.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.77 67.58 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 ttt -96.3 159.24 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.736 0.303 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -100.43 155.75 36.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.695 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.64 4.19 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -171.63 -176.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.751 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -147.63 155.79 26.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 110.98 2.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.1 t -49.35 104.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.9 -28.32 42.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.711 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 12.6 m-85 -51.67 -29.21 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.51 156.98 68.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.78 137.17 34.75 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.58 127.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -46.11 1.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -86.36 42.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -77.12 119.52 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.76 154.73 52.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -65.64 91.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -69.89 -23.68 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.579 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.8 m-85 -108.87 177.3 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -161.14 138.83 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.144 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 34' ' ' ALA . 13.0 t -60.93 115.95 16.42 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 6.76 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -113.28 -35.18 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 p -134.99 28.14 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' CYS . 2.4 m120 32.66 54.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.711 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -102.57 109.57 61.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.098 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.6 ' N ' HG23 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.81 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.2 p90 -119.91 146.19 46.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -66.3 -48.61 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.12 -175.0 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.4 -40.48 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.93 -38.38 7.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.4 m -87.04 -21.48 26.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.649 ' CZ ' ' HB2' ' A' ' 49' ' ' ALA . 25.2 t80 -69.01 -22.99 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -97.93 -31.11 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' HIS . 74.0 m -76.82 -55.77 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.646 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.1 p-80 -33.93 -55.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.646 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -166.71 163.1 36.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.4 p -94.13 80.03 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m -114.07 -21.14 10.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.649 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . . . -84.26 37.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -112.81 -26.45 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -133.45 33.03 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -113.02 -51.52 2.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -60.78 156.38 17.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -82.24 114.82 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.59 -175.25 15.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -179.82 3.17 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.6 m -107.94 45.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 p -95.02 -5.81 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.484 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -73.39 -49.25 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 4' ' ' GLY . 18.5 t -123.38 167.13 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.7 145.63 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -81.3 41.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -143.06 125.13 15.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.47 -63.28 3.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 mtt -73.12 109.23 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -97.71 127.9 35.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 82.0 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.27 170.3 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -136.74 163.36 25.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.14 2.48 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.242 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.7 t -56.54 108.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.58 11.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.53 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 11.3 m-85 -40.33 -36.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.17 155.93 42.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.75 138.93 39.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.74 126.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.57 -44.04 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -85.05 43.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.374 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.24 117.41 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -113.17 157.14 41.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.14 2.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -72.0 68.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -54.92 -28.23 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 8.3 m-85 -109.17 177.52 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -159.74 144.39 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.0 t -63.81 114.12 12.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 4.56 2.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.88 -34.05 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 12.0 p -133.89 26.1 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' CYS . 22.4 m120 33.67 54.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -104.17 113.79 64.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.498 ' N ' HG23 ' A' ' 28' ' ' THR . 54.0 Cg_endo -69.78 111.8 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.5 p90 -119.86 133.11 55.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.0 p -59.29 -48.27 82.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.58 161.98 37.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -41.46 -35.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -47.52 -57.28 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -67.59 -37.08 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.555 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 35.1 t80 -53.85 -29.07 39.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -92.83 -33.72 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.3 m -74.24 -58.69 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.652 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -32.79 -54.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.652 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -169.2 146.5 10.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.9 p -79.39 79.82 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 62.0 m -103.84 -38.09 7.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -42.26 -44.15 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 51' ' ' ASN . 16.7 pt-20 -50.39 -45.42 55.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 64.2 m-20 -74.06 -47.28 37.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' ASN . 8.7 t80 -34.48 -63.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -88.11 170.66 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 55' ' ' GLY . 69.8 m -127.96 -44.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 34.3 -117.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 99.75 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.357 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -74.31 123.41 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -74.21 -45.83 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.492 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -93.38 127.25 38.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.833 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -110.83 -44.58 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.8 124.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -73.69 158.58 34.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -54.72 163.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.38 151.77 26.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.535 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.7 mtt 62.2 37.2 14.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -45.38 152.16 0.67 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.611 0.72 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -80.41 -176.12 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.741 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -134.63 155.02 21.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 Cg_endo -69.83 111.3 2.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 t -42.26 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . -83.96 40.83 2.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.534 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 35' ' ' PRO . 11.4 m-85 -130.31 -27.16 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.56 161.99 76.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.71 141.31 45.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.11 141.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.84 -47.03 3.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 22' ' ' VAL . 1.1 mp0 -71.17 -12.94 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' GLU . 97.2 t -33.57 121.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -121.07 158.26 53.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -66.35 86.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -107.85 -178.06 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.576 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -161.81 141.47 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 34' ' ' ALA . 14.9 t -63.19 114.48 12.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 8.23 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.492 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 2.6 mmm180 -112.41 -36.25 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 21.1 p -134.91 26.17 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' CYS . 51.8 m-20 36.23 54.91 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' HG22 ' A' ' 28' ' ' THR . . . -104.95 112.48 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.576 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.78 111.3 2.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 30.5 p90 -118.75 146.89 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -68.2 -42.56 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -152.03 -179.7 7.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -54.99 -45.46 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 21.6 ptt180 -40.02 -42.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -81.42 -34.35 31.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 41.5 t80 -54.87 -24.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -97.07 -34.8 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 45' ' ' HIS . 80.9 m -75.44 -57.02 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -32.98 -51.39 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -168.66 176.92 42.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.542 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -103.3 82.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.492 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.3 m -124.96 29.25 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.02 -38.65 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -43.75 -45.82 7.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.85 -45.99 16.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -81.48 99.51 8.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -129.89 128.0 41.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -115.28 77.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.76 -164.48 12.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.78 4.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 p -72.95 -25.83 61.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -174.61 150.28 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.485 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -150.09 135.5 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.393 . . . . 0.0 110.82 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -165.61 175.69 8.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.99 -109.19 2.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -134.64 111.45 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -70.71 -41.65 71.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.54 159.39 16.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.5 ttm -109.54 -59.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.716 0.294 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -48.94 150.18 2.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 88.22 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -145.9 170.37 16.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.779 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -135.23 156.86 22.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.9 Cg_endo -69.76 108.11 2.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.6 t -36.9 104.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.5 42.19 3.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 46.6 m-85 -131.81 -32.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.98 159.23 7.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 136.44 33.09 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.86 118.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.26 -44.34 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -89.88 44.0 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.7 t -76.4 114.32 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -111.6 154.38 43.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.779 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -71.82 89.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.32 -32.83 74.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.58 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 2.5 m-85 -101.41 -177.13 3.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -163.17 145.43 10.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ASN . 8.7 t -65.91 115.86 26.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.22 3.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -107.69 -35.6 6.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.0 p -134.29 27.04 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' CYS . 28.7 t-20 33.03 54.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -104.79 114.81 63.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.629 ' N ' HG23 ' A' ' 28' ' ' THR . 54.1 Cg_endo -69.8 114.04 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.7 p90 -119.79 142.3 48.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.1 p -66.38 -48.36 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 p -144.35 166.83 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.81 -34.68 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -49.73 -64.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.01 -31.32 71.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.573 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.5 t80 -60.32 -28.58 68.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.03 -34.17 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.7 m -71.38 -55.63 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -37.38 -54.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.656 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -153.7 -176.6 26.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.9 t -110.52 17.09 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.487 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 3.5 m -52.9 -28.59 23.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.571 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -66.74 -61.86 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' ALA . 13.5 mm-40 -36.54 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.494 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 11.4 p-10 -130.4 53.54 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -82.16 13.67 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -113.19 80.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.0 p -91.7 155.0 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.36 -123.54 7.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 160.74 48.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.3 t -90.21 95.87 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.0 p -94.26 91.82 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.5 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -170.17 139.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -166.08 157.28 13.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.64 136.2 2.26 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -96.01 154.59 17.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -79.81 159.5 26.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.17 -134.85 12.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtp -50.59 131.09 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.0 122.27 35.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 130.43 19.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.787 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -57.67 174.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -138.5 162.69 25.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' CYS . 53.7 Cg_endo -69.75 110.2 2.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.743 2.295 . . . . 0.0 112.354 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' PRO . 8.9 t -36.97 99.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.96 39.01 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 28.1 m-85 -128.93 -33.32 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.43 159.45 8.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.76 137.16 34.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -33.27 124.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.26 -47.62 1.09 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -85.35 42.81 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.9 119.21 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -118.4 152.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 105.9 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.787 ' O ' ' HB1' ' A' ' 11' ' ' ALA . . . -67.47 97.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -73.03 -23.04 60.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 5.5 m-85 -110.26 -174.59 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.55 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -165.58 136.0 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ASN . 48.8 t -60.18 113.74 8.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 6.49 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.471 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 5.3 mmm180 -108.03 -34.53 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 17.3 p -134.62 14.98 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' CYS . 32.3 m120 46.06 55.0 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.575 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -108.51 116.51 56.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.55 ' N ' HG23 ' A' ' 28' ' ' THR . 53.6 Cg_endo -69.75 114.85 3.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.8 p90 -120.34 141.88 49.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.02 -47.48 74.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -142.99 175.15 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.56 -37.84 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -50.97 -37.31 43.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.42 -29.69 22.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.59 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 30.5 t80 -62.11 -27.24 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -94.3 -34.59 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' HIS . 69.5 m -70.85 -54.82 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.647 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.5 p-80 -36.38 -54.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.647 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.76 166.79 33.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.1 p -97.09 39.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 16.6 m -70.89 -34.57 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.96 -53.63 56.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -39.2 -41.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 2.4 t30 -80.02 -53.88 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -42.29 -62.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -93.02 146.71 23.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 m -97.9 107.06 19.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.28 178.66 49.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -7.36 20.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.289 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 t -51.38 113.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.0 p -128.62 -46.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.466 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 p -84.37 165.94 17.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -166.58 133.97 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.1 46.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -94.21 43.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -116.29 90.02 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.16 -86.66 0.31 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 9' ' ' GLU . 2.1 tpt -157.83 155.39 29.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.732 0.301 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' MET . 22.6 tt0 -33.5 134.99 0.32 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.59 68.66 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 162.16 11.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -138.39 162.36 25.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.455 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 122.52 9.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.564 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.9 t -75.44 81.26 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 17' ' ' CYS . . . -54.73 -37.93 62.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -45.6 -21.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 15' ' ' GLY . 1.6 m -88.09 157.41 51.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.75 134.43 27.99 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.35 129.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 -49.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' GLN . 55.7 mm-40 -83.82 -15.49 48.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 14' ' ' CYS . 3.0 p -44.84 95.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.428 ' HB2' ' CB ' ' A' ' 37' ' ' CYS . 70.4 mm-40 -77.47 157.97 79.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ALA . 54.0 Cg_endo -69.77 82.95 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -35.19 105.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -29.98 41.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -112.72 -173.79 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.59 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -160.91 142.07 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.84 115.17 13.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 6.15 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.2 -35.2 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' ASN . 14.6 p -133.59 27.52 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' CYS . 20.8 m120 31.83 54.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -107.31 114.09 61.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.59 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.75 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 27' ' ' TYR . 29.1 p90 -124.21 138.4 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 29.0 p -64.27 -46.62 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' LEU . 7.7 t -148.06 156.9 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' SER . 11.4 mt -37.36 -35.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.9 mtm105 -45.72 -52.97 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.9 m -74.48 -26.04 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.544 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.6 t80 -60.67 -31.0 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -89.17 -31.15 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' HIS . 94.5 m -78.15 -59.69 2.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 42' ' ' TYR . 6.9 p-80 -33.74 -47.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.538 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.92 165.47 38.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.2 p -99.14 41.67 1.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 m -71.37 -25.81 62.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.48 39.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -105.67 -37.42 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' PHE . 7.2 t30 -107.41 -34.4 7.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' ASN . 10.2 t80 -35.84 -53.56 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -84.22 151.42 24.83 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -44.82 128.86 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.87 88.84 0.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -49.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.9 t -52.82 118.72 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 p -107.25 134.41 50.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.465 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -122.09 128.33 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 m -140.17 128.31 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.76 45.11 1.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -58.46 149.11 26.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -112.17 123.84 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.99 -107.54 3.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 mmt -97.3 165.1 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -103.85 138.68 19.6 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.671 0.748 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 179.37 3.74 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.01 160.93 31.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -121.92 153.32 16.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.488 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.63 105.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' CYS . . . -78.89 -43.9 10.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' GLY . 26.3 m-85 -35.84 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -69.32 155.05 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.2 Cg_endo -69.68 134.34 27.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.17 134.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.045 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.42 -52.04 2.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -80.95 45.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.6 t -74.56 118.6 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -111.41 156.9 40.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.726 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -75.46 58.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -53.29 -26.65 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.583 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 3.7 m-85 -106.61 151.09 25.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -137.01 138.49 40.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.9 t -58.02 113.44 6.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 29' ' ' CYS . 53.4 Cg_endo -69.76 7.24 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.96 -35.83 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.35 18.0 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 54.5 m-20 42.62 54.99 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' HG22 ' A' ' 28' ' ' THR . . . -105.74 114.57 62.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.548 ' N ' HG23 ' A' ' 28' ' ' THR . 53.2 Cg_endo -69.79 111.81 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 53.6 p90 -121.42 144.13 48.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -67.92 -48.35 66.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -145.69 170.17 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.97 -36.12 12.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.0 -41.06 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.9 -33.94 26.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.601 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 50.7 t80 -60.6 -31.13 70.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -88.54 -31.02 18.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -75.72 -59.07 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.665 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.5 p-80 -37.35 -55.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.665 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -159.48 165.13 34.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.4 p -96.53 53.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 111.183 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 m -89.92 33.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.71 -43.03 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -54.35 -43.19 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.07 -57.9 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -72.89 87.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' SER . 11.2 m-85 -86.87 -52.17 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' TYR . 88.3 p 37.55 44.8 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.28 -167.08 17.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.55 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -4.3 13.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.639 2.226 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -70.67 103.65 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 p -67.83 -57.79 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -161.02 140.36 10.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -111.48 143.31 42.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.27 97.24 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -81.84 98.97 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -123.61 92.5 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.92 92.0 0.1 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 mtp -75.8 -61.0 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -121.13 156.64 56.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.672 0.749 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 87.56 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.67 141.53 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -127.92 165.73 20.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 113.0 3.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 42.3 t -64.52 92.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.09 -38.18 83.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -40.54 -31.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.54 156.14 83.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.76 129.55 17.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.32 130.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -45.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.47 49.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.2 t -77.41 114.57 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -110.21 156.37 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -79.0 65.37 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -56.69 -29.92 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 6.1 m-85 -99.08 179.56 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.568 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -164.13 134.12 4.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ASN . 17.4 t -57.14 112.46 4.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 8.21 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' CZ ' HD22 ' A' ' 51' ' ' ASN . 12.0 mtp85 -111.54 -34.67 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.0 p -134.01 18.27 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' CYS . 7.7 p30 43.03 55.01 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.43 113.28 63.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.568 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.81 110.22 2.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.301 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 37.5 p90 -119.11 149.59 41.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.77 -48.2 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 p -146.06 167.06 24.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 mt -44.46 -34.01 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.75 -52.67 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.87 -24.77 58.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.476 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 53.7 t80 -62.22 -24.22 67.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -96.87 -33.44 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 45' ' ' HIS . 97.4 m -77.33 -55.76 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 7.4 p-80 -36.34 -49.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.566 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -160.51 178.98 36.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.3 p -108.8 38.15 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m -76.52 -33.46 58.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.44 -41.23 19.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.84 29.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.423 HD22 ' CZ ' ' A' ' 31' ' ' ARG . 2.9 t30 -129.68 -37.3 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 54' ' ' SER . 3.9 t80 -96.02 118.49 32.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -98.82 110.44 23.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 92.4 p -92.6 151.64 20.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.4 95.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 146.1 58.88 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 m -133.64 136.6 44.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.1 t -90.15 131.48 35.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.794 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.484 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.2 p -154.53 139.92 17.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 m -151.25 142.27 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.62 -68.09 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -59.62 157.4 11.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -86.75 39.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.82 102.4 0.8 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -98.55 39.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.476 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 32.3 tt0 -40.96 139.59 1.19 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.672 0.749 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.4 Cg_endo -69.76 158.46 56.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.283 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.59 163.42 25.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.92 156.23 15.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 111.78 2.91 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 44.8 t -63.57 102.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -75.82 -44.41 19.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' HZ ' ' HB1' ' A' ' 34' ' ' ALA . 26.0 m-85 -34.53 -38.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' GLY . 2.5 m -61.88 154.86 65.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 130.7 19.82 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -28.41 132.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.06 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 -47.2 1.95 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -85.69 43.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -71.74 122.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -116.93 156.45 48.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.699 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 103.68 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . . . -76.04 67.87 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -59.6 -25.13 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 10.0 m-85 -103.43 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.561 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -151.22 142.39 23.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ASN . 31.9 t -65.08 116.07 26.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 5.86 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.502 ' CB ' ' HB3' ' A' ' 48' ' ' CYS . 4.3 mmm180 -109.43 -36.71 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 19.1 p -134.17 23.85 3.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.6 m-20 37.28 55.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.607 ' HB1' ' HZ ' ' A' ' 16' ' ' PHE . . . -106.05 114.98 61.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.561 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.77 119.69 6.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 50.8 p90 -126.37 148.6 49.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -72.38 -47.78 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -145.33 174.49 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.96 -41.74 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -46.86 -39.58 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.44 -39.93 18.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.583 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 34.2 t80 -55.56 -26.9 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -95.04 -36.63 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' HIS . 87.4 m -69.32 -54.93 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.3 p-80 -36.02 -53.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.634 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -158.61 176.42 35.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.69 HG22 ' HB2' ' A' ' 50' ' ' GLU . 4.4 m -107.4 44.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.502 ' HB3' ' CB ' ' A' ' 31' ' ' ARG . 8.9 m -75.96 -39.96 54.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLU . . . -52.14 -42.59 63.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.69 ' HB2' HG22 ' A' ' 47' ' ' THR . 4.3 tt0 -34.34 -60.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -40.18 82.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -42.25 -51.86 4.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -116.65 173.13 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 m 47.37 41.02 11.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.28 152.75 22.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 86.65 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -122.83 126.39 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.1 m 66.49 42.14 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.521 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -144.89 126.39 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -55.77 160.72 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.67 -166.28 12.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -96.33 91.36 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -53.61 160.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.806 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.34 46.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 2.6 ptt? -108.99 -43.88 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.7 0.286 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 8' ' ' MET . 26.4 mt-10 -157.86 143.8 12.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 80.1 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.641 2.227 . . . . 0.0 112.345 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -175.07 174.85 2.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.681 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -133.84 158.53 23.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.48 88.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.82 93.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.672 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 5.2 m-85 -42.45 -42.45 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.86 156.26 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.3 Cg_endo -69.8 133.21 24.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -32.45 133.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.62 -36.3 3.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -97.35 38.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.3 t -73.65 118.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -114.89 154.12 46.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -58.76 84.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -54.06 -31.59 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 1.2 m-85 -118.92 -174.45 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.652 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -162.39 144.8 11.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.0 t -60.11 115.17 12.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 54.0 Cg_endo -69.79 6.57 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 52' ' ' PHE . 1.1 mpt_? -115.68 -41.81 3.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 14.1 p -125.81 25.38 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' CYS . 36.4 m-80 34.9 55.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.672 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -101.19 110.85 62.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.652 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 105.83 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 34.5 p90 -113.41 135.07 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -62.58 -36.7 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.03 177.49 11.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -56.37 -39.34 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 41' ' ' CYS . 20.9 ptt85 -47.67 -54.01 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.5 m -69.79 -35.26 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.598 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 20.1 t80 -53.32 -26.92 20.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -92.99 -31.18 14.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.1 m -73.51 -54.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.5 p-80 -38.01 -54.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.14 -170.3 20.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -118.49 45.31 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m -86.25 35.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.7 -34.2 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -50.31 -34.34 23.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -132.38 73.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.635 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -128.84 -38.99 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.5 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 36.1 p90 -88.13 170.67 10.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -124.76 88.41 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -57.18 -164.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 95.97 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -104.47 -58.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 m -81.11 85.77 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.484 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 77.9 p 35.94 43.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -150.57 117.85 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.89 -133.19 4.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -59.84 -56.51 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t 58.88 43.15 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.71 65.87 1.41 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 mtt -133.85 142.92 48.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -132.47 143.86 50.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.65 59.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.58 174.62 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.759 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -129.99 149.7 18.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.71 3.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 40.5 t -59.1 106.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.77 -40.43 12.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 14.1 m-85 -39.83 -33.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.53 157.38 26.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.73 130.54 19.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -34.81 119.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.36 -45.22 1.35 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -91.99 46.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.08 120.35 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -114.37 155.91 45.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -74.05 74.12 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.06 -23.35 67.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 7.5 m-85 -108.62 165.12 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -149.17 144.92 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.1 t -63.61 115.79 21.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -115.11 -37.71 4.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.0 p -129.52 25.85 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' CYS . 10.0 m120 33.57 54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB1' ' CZ ' ' A' ' 16' ' ' PHE . . . -104.06 111.89 65.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.579 ' N ' HG23 ' A' ' 28' ' ' THR . 53.7 Cg_endo -69.74 113.59 3.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 47.0 p90 -122.07 147.06 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -68.42 -48.8 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.97 -176.35 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.8 -38.56 82.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 7.8 ptm180 -47.41 -43.82 24.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 2.1 m -80.06 -39.44 29.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' O ' ' CE1' ' A' ' 45' ' ' HIS . 31.2 t80 -51.92 -25.41 8.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -95.77 -36.85 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' HIS . 89.5 m -70.49 -55.81 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.609 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.6 p-80 -35.36 -51.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.609 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -167.4 179.27 41.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 p -104.77 81.7 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m -123.05 30.05 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.71 -39.18 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.43 -34.35 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -120.54 43.38 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -113.25 -53.11 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' SER . 1.9 p90 -85.78 96.69 9.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' TYR . 75.0 p 34.08 49.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 56' ' ' PRO . . . -87.82 116.77 4.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 55' ' ' GLY . 53.7 Cg_endo -69.8 -173.39 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.5 m -84.78 46.1 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -102.49 131.85 48.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -161.29 127.59 3.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 m -43.05 159.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.95 -67.37 2.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t 71.14 42.05 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -154.01 124.54 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.77 -110.26 0.8 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 mmt -104.87 144.79 31.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -85.48 140.35 36.1 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.666 0.746 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 175.5 8.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -123.06 163.97 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.693 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -136.22 159.32 24.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 110.9 2.67 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -56.89 92.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -35.93 90.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CZ ' ' HB1' ' A' ' 34' ' ' ALA . 5.1 m-85 -44.55 -33.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 156.92 90.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.72 59.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 144.61 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.81 -55.43 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' VAL . 53.6 mm-40 -61.98 -8.89 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' GLU . 88.5 t -35.8 119.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.62 151.93 52.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -55.65 94.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 -69.06 -29.84 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.579 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 4.0 m-85 -109.81 -174.89 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -165.31 147.33 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 2.3 t -64.48 116.83 31.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 8.01 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -118.61 -43.3 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 13.2 p -124.24 26.4 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' CYS . 9.0 p30 33.71 54.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.604 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . . . -98.84 108.73 50.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.717 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.597 ' N ' HG23 ' A' ' 28' ' ' THR . 53.9 Cg_endo -69.72 101.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.286 . . . . 0.0 112.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 35.1 p90 -109.68 144.16 38.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -67.52 -43.78 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.2 m -148.62 174.19 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.2 -46.04 45.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -39.84 -55.21 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 m -69.98 -45.31 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.534 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 21.1 t80 -46.85 -25.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -96.66 -38.47 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' HIS . 99.4 m -69.3 -54.89 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.659 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 5.4 p-80 -37.01 -55.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.659 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.91 160.5 30.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -93.1 40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 m -71.67 -35.17 70.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.481 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -62.37 -42.06 99.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -52.95 -41.37 64.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -106.04 37.55 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -114.74 -51.36 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.481 ' CE1' ' O ' ' A' ' 49' ' ' ALA . 24.9 p90 -83.26 115.62 22.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.9 t -51.99 150.6 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.82 -118.16 3.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 88.54 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.5 t -70.1 -51.92 27.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 t 54.25 42.44 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.508 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -154.08 117.1 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -123.53 104.12 8.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.18 46.31 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -92.62 81.51 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -158.72 177.98 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.76 -69.47 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtt -120.85 86.21 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -39.8 137.45 1.13 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 126.43 13.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.377 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.517 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -54.97 179.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.773 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -135.47 157.39 23.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 114.48 3.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.18 102.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.38 41.21 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 45' ' ' HIS . 35.1 m-85 -130.05 -33.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.76 159.9 6.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.72 133.18 25.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 18' ' ' PRO . . . -31.53 134.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.35 2.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.1 40.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.07 119.64 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -116.12 153.95 48.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 104.81 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . -65.15 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -60.84 -28.38 68.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -109.45 179.35 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.664 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -160.4 146.25 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ASN . 1.7 t -62.74 112.85 7.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.751 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 7.71 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -116.42 -44.8 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 16.1 p -116.55 4.97 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' CYS . 4.0 m-80 53.67 54.05 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' C ' HG23 ' A' ' 28' ' ' THR . . . -108.26 115.39 58.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.664 ' N ' HG23 ' A' ' 28' ' ' THR . 54.0 Cg_endo -69.7 110.46 2.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.355 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 27' ' ' TYR . 24.5 p90 -118.43 139.46 51.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -60.96 -48.27 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -147.75 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.72 -41.56 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -43.46 -65.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 m -61.23 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.714 ' CZ ' ' HB2' ' A' ' 49' ' ' ALA . 12.0 t80 -47.53 -28.16 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -92.11 -33.39 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' HIS . 98.8 m -72.12 -56.32 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 46' ' ' GLY . 6.1 p-80 -37.01 -54.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.654 ' N ' ' CG ' ' A' ' 45' ' ' HIS . . . -155.92 173.78 33.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.878 HG22 ' HG2' ' A' ' 50' ' ' GLU . 16.1 m -103.55 44.81 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 111.17 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m -78.45 -14.9 59.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . . . -86.55 36.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.878 ' HG2' HG22 ' A' ' 47' ' ' THR . 20.7 mm-40 -81.54 -42.0 20.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -114.98 -35.78 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -61.83 101.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -133.62 154.8 50.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 p -96.62 80.04 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.1 69.01 1.41 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 152.96 69.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -106.37 145.47 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -90.73 129.7 36.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.462 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_